methyl 5-methyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(phenethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O2S2/c1-11-10-13(15(19)20-2)14(22-11)18-16(21)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,17,18,21)