methyl 2-(phenethylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(phenethylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-(phenethylcarbamothioylamino)-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(phenethylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-(phenethylthiocarbamoylamino)-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C19H18N2O2S3 MolecularWeight: 402.55342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S3/c1-23-18(22)16-14(15-8-5-11-25-15)12-26-17(16)21-19(24)20-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H2,20,21,24)