(Q27164974)

MLS002703107 (English)

9 October 2016

chemical formula

C₁₉H₂₅BrClN₅S

1 reference

MLS002703107 (English)

9 October 2016

canonical SMILES

C1=CC(=CC=C1CN(CCCNC(=S)NCCCN)C2=NC=C(C=C2)Br)Cl

1 reference

MLS002703107 (English)

InChI=1S/C19H25BrClN5S/c20-16-5-8-18(25-13-16)26(14-15-3-6-17(21)7-4-15)12-2-11-24-19(27)23-10-1-9-22/h3-8,13H,1-2,9-12,14,22H2,(H2,23,24,27)

9 October 2016

Identifiers

InChI

1 reference

MLS002703107 (English)

AFYANHAOQVXINA-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

MLS002703107 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-(3-Aminopropyl)-3-{3-[(5-bromo-2-pyridinyl)(4-chlorobenzyl)amino]propyl}thiourea (English)

9 October 2016

2 references

MLS002703107 (English)

matched by identifier from

9 October 2016

InChIKey

AFYANHAOQVXINA-UHFFFAOYSA-N

ChEBI ID

93258

mapping relation type

2 references

1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H25BrClN5S/c20-16-5-8-18(25-13-16)26(14-15-3-6-17(21)7-4-15)12-2-11-24-19(27)23-10-1-9-22/h3-8,13H,1-2,9-12,14,22H2,(H2,23,24,27)

1 reference