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

Systemtic Name: ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(2-thenoylamino)benzoic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-2-32-25(31)19-10-11-21(20(17-19)26-23(29)22-9-6-16-33-22)27-12-14-28(15-13-27)24(30)18-7-4-3-5-8-18/h3-11,16-17H,2,12-15H2,1H3,(H,26,29)