ethyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,5-dimethylhexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S2/c1-5-26-21(25)18-14-19(17-12-7-6-8-13-17)28-20(18)24-22(27)23-16(4)11-9-10-15(2)3/h6-8,12-16H,5,9-11H2,1-4H3,(H2,23,24,27)