ethyl 3-[2-(phenylmethylsulfanyl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-(phenylmethylsulfanyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-(2-benzylsulfanylethylcarbamothioylamino)benzoate CAS Name: 3-[[[2-(phenylmethylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzylsulfanylethylcarbamothioylamino)benzoate Traditional Name: 3-[2-(benzylthio)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O2S2/c1-2-23-18(22)16-9-6-10-17(13-16)21-19(24)20-11-12-25-14-15-7-4-3-5-8-15/h3-10,13H,2,11-12,14H2,1H3,(H2,20,21,24)