ethyl 4,5-dimethyl-2-[[4-(3-methylphenyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[4-(3-methylphenyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[4-(m-tolyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[4-(3-methylphenyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(m-tolyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-5-27-20(25)18-15(3)16(4)28-19(18)22-21(26)24-11-9-23(10-12-24)17-8-6-7-14(2)13-17/h6-8,13H,5,9-12H2,1-4H3,(H,22,26)