3-(2-chlorophenyl)-5-methyl-N-[(3,3,5-trimethylcyclohexyl)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(3,3,5-trimethylcyclohexyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[(3,3,5-trimethylcyclohexyl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(3,3,5-trimethylcyclohexyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[(3,3,5-trimethylcyclohexyl)thiocarbamoyl]isoxazole-4-carboxamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H26ClN3O2S/c1-12-9-14(11-21(3,4)10-12)23-20(28)24-19(26)17-13(2)27-25-18(17)15-7-5-6-8-16(15)22/h5-8,12,14H,9-11H2,1-4H3,(H2,23,24,26,28)