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

Systemtic Name: 4-chloranyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(4-isopropylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-(cumoylthiocarbamoylamino)benzoic acid Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O3S/c1-10(2)11-3-5-12(6-4-11)16(22)21-18(25)20-15-9-13(17(23)24)7-8-14(15)19/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,25)