methyl 5-ethyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(4-phenylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-3-15-13-16(18(22)23-2)17(25-15)21-19(24)20-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,20,21,24)