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

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-phenylpiperazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-phenylpiperazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-phenylpiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-4-26-19(24)17-14(2)15(3)27-18(17)21-20(25)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3,(H,21,25)