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

Systemtic Name: 2-chloranyl-4-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-chloro-4-[(4-isopropylbenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-4-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-4-(cumoylthiocarbamoylamino)benzoate Formula: C18H16ClN2O3S- MolecularWeight: 375.84924

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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)[O-])Cl

Isomeric SMILES

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

InChI

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