methyl 4-chloranyl-3-(phenylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(phenylcarbamothioylamino)benzoate Openeye Name: methyl 4-chloro-3-(phenylcarbamothioylamino)benzoate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(phenylcarbamothioylamino)benzoate Traditional Name: 4-chloro-3-(phenylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O2S/c1-20-14(19)10-7-8-12(16)13(9-10)18-15(21)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,21)