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

Systemtic Name: methyl 5-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isopentylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C13H20N2O2S2/c1-8(2)5-6-14-13(18)15-11-10(12(16)17-4)7-9(3)19-11/h7-8H,5-6H2,1-4H3,(H2,14,15,18)