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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

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