methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(diisobutylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S2/c1-10(2)8-18(9-11(3)4)16(21)17-14-13(15(19)20-6)7-12(5)22-14/h7,10-11H,8-9H2,1-6H3,(H,17,21)