methyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-(2-methylallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-(2-methylallylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S2/c1-9(2)6-11-8-21-13(12(11)14(18)19-5)17-15(20)16-7-10(3)4/h8-9H,3,6-7H2,1-2,4-5H3,(H2,16,17,20)