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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-2-28-23(27)20-17-21(19-14-7-4-8-15-19)30-22(20)26-24(29)25-16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,17H,2,9-10,13,16H2,1H3,(H2,25,26,29)