ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H36N2O2S2 MolecularWeight: 472.70624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H36N2O2S2/c1-5-26(3,4)19-12-14-20(15-13-19)27-25(31)28-23-22(24(29)30-6-2)17-21(32-23)16-18-10-8-7-9-11-18/h7-11,17,19-20H,5-6,12-16H2,1-4H3,(H2,27,28,31)