3-azanyl-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)amino]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)amino]thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(p-toluidino)thiophene-2-carboxamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N)C#N

InChI

InChI=1S/C21H17N5O2S2/c1-11-3-5-12(6-4-11)24-20-14(10-22)17(23)18(30-20)19(27)26-21-25-15-8-7-13(28-2)9-16(15)29-21/h3-9,24H,23H2,1-2H3,(H,25,26,27)