4-cyano-3-methyl-N-(2-methylphenyl)-5-[(3-nitrophenyl)carbonylamino]thiophene-2-carboxamide

Systemtic Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-[(3-nitrophenyl)carbonylamino]thiophene-2-carboxamide Openeye Name: 4-cyano-3-methyl-5-[(3-nitrobenzoyl)amino]-N-(o-tolyl)thiophene-2-carboxamide CAS Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-[[(3-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxamide IUPAC Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxamide Traditional Name: 4-cyano-3-methyl-5-[(3-nitrobenzoyl)amino]-N-(o-tolyl)thiophene-2-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C21H16N4O4S/c1-12-6-3-4-9-17(12)23-20(27)18-13(2)16(11-22)21(30-18)24-19(26)14-7-5-8-15(10-14)25(28)29/h3-10H,1-2H3,(H,23,27)(H,24,26)