methyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,5-dimethylhexylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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