methyl 3-[[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(benzylcarbamoyl)piperidine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(benzylcarbamoyl)piperidine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(benzylcarbamoyl)piperidine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-27-19(25)17-16(9-12-28-17)22-20(26)23-10-7-15(8-11-23)18(24)21-13-14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)(H,22,26)