methyl 3-(phenethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(phenethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(phenethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-[[(phenethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(phenethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(phenethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S2/c1-23-18(22)17-16(14-9-5-6-10-15(14)25-17)21-19(24)20-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,20,21,24)