3-(2-chlorophenyl)-5-methyl-N-(phenethylcarbamothioyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-(phenethylcarbamothioyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-(phenethylcarbamothioyl)isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[(phenethylamino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-(phenethylcarbamothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-(phenethylthiocarbamoyl)isoxazole-4-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-13-17(18(24-26-13)15-9-5-6-10-16(15)21)19(25)23-20(27)22-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,22,23,25,27)