methyl 4-[2-(phenylmethylsulfanyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(phenylmethylsulfanyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-(2-benzylsulfanylethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(phenylmethylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanylethylcarbamothioylamino)benzoate Traditional Name: 4-[2-(benzylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O2S2/c1-22-17(21)15-7-9-16(10-8-15)20-18(23)19-11-12-24-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,19,20,23)