methyl 5-(2-phenylsulfanylethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(2-phenylsulfanylethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(2-phenylsulfanylethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-phenylsulfanylethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-[2-(phenylthio)ethylthiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C15H16N2O2S3 MolecularWeight: 352.49474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S3/c1-19-14(18)12-7-8-13(22-12)17-15(20)16-9-10-21-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,16,17,20)