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

Systemtic Name: ethyl 3-[(3-chlorophenyl)carbonylcarbamothioylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chlorobenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-chlorobenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C28H27ClN4O4S MolecularWeight: 551.05638

Click to see the large picture

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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O4S/c1-2-37-27(36)21-11-12-24(32-13-15-33(16-14-32)26(35)19-7-4-3-5-8-19)23(18-21)30-28(38)31-25(34)20-9-6-10-22(29)17-20/h3-12,17-18H,2,13-16H2,1H3,(H2,30,31,34,38)