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

Systemtic Name: 4-chloranyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(4-isopropylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-(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=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)/p-1