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

Systemtic Name: 3-azanyl-4-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)amino]thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(p-toluidino)thiophene-2-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=C(S3)NC4=CC=C(C=C4)C)C#N)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=C(S3)NC4=CC=C(C=C4)C)C#N)N

InChI

InChI=1S/C22H19N5O2S2/c1-3-29-14-8-9-16-17(10-14)30-22(26-16)27-20(28)19-18(24)15(11-23)21(31-19)25-13-6-4-12(2)5-7-13/h4-10,25H,3,24H2,1-2H3,(H,26,27,28)