methyl 3-[(2,2-diphenylethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2,2-diphenylethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2,2-diphenylacetyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2,2-diphenylacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(2,2-diphenylacetyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-31-23(30)19-14-8-13-18(15-19)21(28)25-24(32)27-26-22(29)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,26,29)(H2,25,27,28,32)