methyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 2-(2-furylmethylcarbamothioylamino)-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-4-isobutyl-thiophene-3-carboxylic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C16H20N2O3S2/c1-10(2)7-11-9-23-14(13(11)15(19)20-3)18-16(22)17-8-12-5-4-6-21-12/h4-6,9-10H,7-8H2,1-3H3,(H2,17,18,22)