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

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C32H34N4O4S MolecularWeight: 570.70176

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

Isomeric SMILES

COC(=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/C32H34N4O4S/c1-40-29(38)24-14-15-27(35-18-20-36(21-19-35)28(37)23-10-4-2-5-11-23)26(22-24)33-31(41)34-30(39)32(16-8-9-17-32)25-12-6-3-7-13-25/h2-7,10-15,22H,8-9,16-21H2,1H3,(H2,33,34,39,41)