ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(methylthio)propylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S3 MolecularWeight: 394.57448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCSC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCSC

InChI

InChI=1S/C18H22N2O2S3/c1-3-22-17(21)14-12-15(13-8-5-4-6-9-13)25-16(14)20-18(23)19-10-7-11-24-2/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,19,20,23)