5-azanyl-4-cyano-3-(4-methylphenyl)-N-[(phenylmethyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide

Systemtic Name: 5-azanyl-4-cyano-3-(4-methylphenyl)-N-[(phenylmethyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(p-tolyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: 5-amino-4-cyano-3-(4-methylphenyl)-N-[oxo-[(phenylmethyl)amino]methyl]-2,3-dihydrothiophene-2-carboxamide IUPAC Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(4-methylphenyl)-2,3-dihydrothiophene-2-carboxamide Traditional Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(p-tolyl)-2,3-dihydrothiophene-2-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-13-7-9-15(10-8-13)17-16(11-22)19(23)28-18(17)20(26)25-21(27)24-12-14-5-3-2-4-6-14/h2-10,17-18H,12,23H2,1H3,(H2,24,25,26,27)