methyl 4,5-dimethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C

InChI

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