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

Systemtic Name: 5-chloranyl-2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[(4-isopropylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-(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=C(C=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

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