ethyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]benzoate CAS Name: 4-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]benzoate Traditional Name: 4-[(4-tert-amylcyclohexyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H32N2O2S/c1-5-21(3,4)16-9-13-18(14-10-16)23-20(26)22-17-11-7-15(8-12-17)19(24)25-6-2/h7-8,11-12,16,18H,5-6,9-10,13-14H2,1-4H3,(H2,22,23,26)