methyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2-chloro-5-methylsulfanyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-chloro-5-(methylthio)benzoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H15ClN2O3S2/c1-23-16(22)10-3-5-11(6-4-10)19-17(24)20-15(21)13-9-12(25-2)7-8-14(13)18/h3-9H,1-2H3,(H2,19,20,21,24)