methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(2-thenoylamino)benzoic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H23N3O4S/c1-31-24(30)18-9-10-20(19(16-18)25-22(28)21-8-5-15-32-21)26-11-13-27(14-12-26)23(29)17-6-3-2-4-7-17/h2-10,15-16H,11-14H2,1H3,(H,25,28)