methyl 3-[[(4-methylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(4-methylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-methylbenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-methylbenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(p-toluoylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-11-6-8-12(9-7-11)16(23)20-21-18(26)19-15(22)13-4-3-5-14(10-13)17(24)25-2/h3-10H,1-2H3,(H,20,23)(H2,19,21,22,26)