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

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(diisobutylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N(CC(C)C)CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N(CC(C)C)CC(C)C)C(=O)OC

InChI

InChI=1S/C17H28N2O2S2/c1-7-13-8-14(16(20)21-6)15(23-13)18-17(22)19(9-11(2)3)10-12(4)5/h8,11-12H,7,9-10H2,1-6H3,(H,18,22)