ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C30H32N4O5S MolecularWeight: 560.66388

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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=C(C(=CC=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O5S/c1-4-39-29(37)22-13-14-25(33-15-17-34(18-16-33)28(36)21-10-6-5-7-11-21)24(19-22)31-30(40)32-27(35)23-12-8-9-20(2)26(23)38-3/h5-14,19H,4,15-18H2,1-3H3,(H2,31,32,35,40)