(Q27185235)

MLS000540613 (English)

10 October 2016

chemical formula

C₂₂H₁₉BrN₄OS

1 reference

MLS000540613 (English)

10 October 2016

canonical SMILES

C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

1 reference

MLS000540613 (English)

InChI=1S/C22H19BrN4OS/c23-17-8-6-16(7-9-17)20-15-29-22(25-18-4-2-1-3-5-18)19(14-24)21(26-20)27-10-12-28-13-11-27/h1-9,15,25H,10-13H2

10 October 2016

Identifiers

InChI

1 reference

MLS000540613 (English)

GDJWPEGMOXECJV-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS000540613 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

7-Anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile (English)

10 October 2016

2 references

MLS000540613 (English)

matched by identifier from

10 October 2016

InChIKey

GDJWPEGMOXECJV-UHFFFAOYSA-N

ChEBI ID

107178

mapping relation type

2 references

7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H19BrN4OS/c23-17-8-6-16(7-9-17)20-15-29-22(25-18-4-2-1-3-5-18)19(14-24)21(26-20)27-10-12-28-13-11-27/h1-9,15,25H,10-13H2

1 reference