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

Systemtic Name: 2-methyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-isopropylbenzoyl)carbamothioylamino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-methyl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(cumoylthiocarbamoylamino)-2-methyl-benzoate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C(=O)[O-]

InChI

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