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

Systemtic Name: methyl 2-(4-phenylbutylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(4-phenylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2S2/c1-28-23(27)21-17-20(16-19-13-6-3-7-14-19)30-22(21)26-24(29)25-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17H,8-9,12,15-16H2,1H3,(H2,25,26,29)