methyl 4-[(2-propan-2-ylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-propan-2-ylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-isopropylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-ylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-(o-cumenylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-12(2)15-6-4-5-7-16(15)20-19(25)21-17(22)13-8-10-14(11-9-13)18(23)24-3/h4-12H,1-3H3,(H2,20,21,22,25)