5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-3-methyl-2-oxidanyl-benzoate Openeye Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxy-3-methyl-benzoate CAS Name: 5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxy-3-methylbenzoate IUPAC Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxy-3-methylbenzoate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-hydroxy-3-methyl-benzoate Formula: C17H14ClN2O4S2- MolecularWeight: 409.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)[O-])O

InChI

InChI=1S/C17H15ClN2O4S2/c1-9-6-11(7-13(15(9)22)16(23)24)19-17(25)20-14(21)8-26-12-4-2-10(18)3-5-12/h2-7,22H,8H2,1H3,(H,23,24)(H2,19,20,21,25)/p-1