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

Systemtic Name: methyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H34N2O2S2 MolecularWeight: 458.67966

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2S2/c1-5-25(2,3)18-11-13-19(14-12-18)26-24(30)27-22-21(23(28)29-4)16-20(31-22)15-17-9-7-6-8-10-17/h6-10,16,18-19H,5,11-15H2,1-4H3,(H2,26,27,30)