ethyl 3-methyl-5-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C16H24N2O2S2 MolecularWeight: 340.50396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2CCCCC2C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)N[C@H]2CCCC[C@@H]2C)C

InChI

InChI=1S/C16H24N2O2S2/c1-4-20-15(19)14-11(3)9-13(22-14)18-16(21)17-12-8-6-5-7-10(12)2/h9-10,12H,4-8H2,1-3H3,(H2,17,18,21)/t10-,12-/m0/s1