ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H36N2O2S2 MolecularWeight: 436.67414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C23H36N2O2S2/c1-5-23(3,4)15-11-13-16(14-12-15)24-22(28)25-20-19(21(26)27-6-2)17-9-7-8-10-18(17)29-20/h15-16H,5-14H2,1-4H3,(H2,24,25,28)