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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-propan-2-ylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-isopropylphenyl)carbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-propan-2-ylanilino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-propan-2-ylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-(p-cumenylthiocarbamoyl)isoxazole-4-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28)