(Q27096004)

CHEMBL391087 (English)

19 October 2016

chemical formula

C₂₂H₂₂ClN₃O₂S

1 reference

CHEMBL391087 (English)

19 October 2016

canonical SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=C2CC(=O)N=C(N)N)C3=CC=CC=C3Cl

1 reference

CHEMBL391087 (English)

19 October 2016

isomeric SMILES

[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC

1 reference

stated in

RCSB protein data bank

PDB ligand ID

462

InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)

16 February 2021

Identifiers

InChI

1 reference

CHEMBL391087 (English)

VZSMTBLDWPKVRW-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL391087 (English)

19 October 2016

1 reference

2-[2-(2-Chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]-N-(diaminomethylene)acetamide (English)

19 October 2016

2 references

CHEMBL391087 (English)

matched by identifier from

19 October 2016

InChIKey

VZSMTBLDWPKVRW-UHFFFAOYSA-N

1 reference

matched by identifier from

CHEMBL391087 (English)

19 October 2016

1 reference

1 reference

InChIKey

VZSMTBLDWPKVRW-UHFFFAOYSA-N

0 references

0 references

1 reference

2QU3 (English)