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

Systemtic Name: ethyl 3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(1-phenylcyclopentyl)methyl]amino]-sulfanylidenemethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C33H38N4O3S MolecularWeight: 570.74482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4O3S/c1-2-40-30(38)26-15-16-29(37-21-19-36(20-22-37)24-25-11-5-3-6-12-25)28(23-26)34-32(41)35-31(39)33(17-9-10-18-33)27-13-7-4-8-14-27/h3-8,11-16,23H,2,9-10,17-22,24H2,1H3,(H2,34,35,39,41)