methyl 5-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-isopropylphenyl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[1-(4-propan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-(1-p-cumenylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H28N2O2S2/c1-5-21(18-13-11-17(12-14-18)16(2)3)26-25(30)27-23-20(24(28)29-4)15-22(31-23)19-9-7-6-8-10-19/h6-16,21H,5H2,1-4H3,(H2,26,27,30)