4-methyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-isopropylbenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-(cumoylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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