dimethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(diisobutylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(diisobutylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N(CC(C)C)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N(CC(C)C)CC(C)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-10(2)8-20(9-11(3)4)18(25)19-15-13(16(21)23-6)12(5)14(26-15)17(22)24-7/h10-11H,8-9H2,1-7H3,(H,19,25)