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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

InChI

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