3-azanyl-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylazanyl-thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylazanyl-thiophene-2-carboxamide Openeye Name: 3-amino-5-anilino-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide CAS Name: 3-amino-5-anilino-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-5-anilino-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide Traditional Name: 3-amino-5-anilino-4-cyano-N-homoveratryl-thiophene-2-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N)OC

InChI

InChI=1S/C22H22N4O3S/c1-28-17-9-8-14(12-18(17)29-2)10-11-25-21(27)20-19(24)16(13-23)22(30-20)26-15-6-4-3-5-7-15/h3-9,12,26H,10-11,24H2,1-2H3,(H,25,27)