methyl 3-(2-phenylsulfanylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(2-phenylsulfanylethylcarbamothioylamino)benzoate Openeye Name: methyl 3-(2-phenylsulfanylethylcarbamothioylamino)benzoate CAS Name: 3-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-phenylsulfanylethylcarbamothioylamino)benzoate Traditional Name: 3-[2-(phenylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S2/c1-21-16(20)13-6-5-7-14(12-13)19-17(22)18-10-11-23-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H2,18,19,22)