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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(4-phenylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2S2/c1-3-29-24(28)22-21(20-15-8-5-9-16-20)18(2)31-23(22)27-25(30)26-17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16H,3,10-11,14,17H2,1-2H3,(H2,26,27,30)