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

Systemtic Name: ethyl 2-(4-phenylbutylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(4-phenylbutylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S2/c1-2-29-24(28)22-18-21(17-20-14-7-4-8-15-20)31-23(22)27-25(30)26-16-10-9-13-19-11-5-3-6-12-19/h3-8,11-12,14-15,18H,2,9-10,13,16-17H2,1H3,(H2,26,27,30)