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

Systemtic Name: ethyl 4,5-dimethyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazine-1-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-4,5-dimethyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-4-27-20(25)18-15(2)16(3)28-19(18)22-21(26)24-12-10-23(11-13-24)14-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3,(H,22,26)