4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-(4-methoxyanilino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-(4-methoxyanilino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-(4-methoxyanilino)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(p-anisidino)-5-veratroyl-thiophene-3-carbonitrile Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=C(C=C3)OC)OC)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=C(C=C3)OC)OC)N)C#N

InChI

InChI=1S/C21H19N3O4S/c1-26-14-7-5-13(6-8-14)24-21-15(11-22)18(23)20(29-21)19(25)12-4-9-16(27-2)17(10-12)28-3/h4-10,24H,23H2,1-3H3