ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[[oxo-(1-phenylcyclopentyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C33H36N4O4S MolecularWeight: 584.72834

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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(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O4S/c1-2-41-30(39)25-15-16-28(36-19-21-37(22-20-36)29(38)24-11-5-3-6-12-24)27(23-25)34-32(42)35-31(40)33(17-9-10-18-33)26-13-7-4-8-14-26/h3-8,11-16,23H,2,9-10,17-22H2,1H3,(H2,34,35,40,42)