methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O4S2/c1-11(2)6-13-9-27-17(16(13)18(22)23-3)21-19(26)20-8-12-4-5-14-15(7-12)25-10-24-14/h4-5,7,9,11H,6,8,10H2,1-3H3,(H2,20,21,26)