methyl 5-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-12(9-10-14-7-5-4-6-8-14)19-18(23)20-16-15(17(21)22-3)11-13(2)24-16/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,23)