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

Systemtic Name: methyl 4-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-isopropylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(cumoylthiocarbamoylamino)benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

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