methyl 4-[[bis(phenylcarbonyl)amino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[bis(phenylcarbonyl)amino]carbamothioylamino]benzoate Openeye Name: methyl 4-[(dibenzoylamino)carbamothioylamino]benzoate CAS Name: 4-[[(2,2-dibenzoylhydrazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(dibenzoylamino)carbamothioylamino]benzoate Traditional Name: 4-[(dibenzoylamino)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NN(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O4S/c1-30-22(29)18-12-14-19(15-13-18)24-23(31)25-26(20(27)16-8-4-2-5-9-16)21(28)17-10-6-3-7-11-17/h2-15H,1H3,(H2,24,25,31)