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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-p-cumenylethylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S2/c1-6-30-25(29)23-22(21-10-8-7-9-11-21)18(5)32-24(23)28-26(31)27-17(4)20-14-12-19(13-15-20)16(2)3/h7-17H,6H2,1-5H3,(H2,27,28,31)