ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3,5-dimethylbenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C30H32N4O4S MolecularWeight: 544.66448

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

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)C)C

InChI

InChI=1S/C30H32N4O4S/c1-4-38-29(37)23-10-11-26(33-12-14-34(15-13-33)28(36)22-8-6-5-7-9-22)25(19-23)31-30(39)32-27(35)24-17-20(2)16-21(3)18-24/h5-11,16-19H,4,12-15H2,1-3H3,(H2,31,32,35,39)