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

Systemtic Name: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-(homoveratrylthiocarbamoyl)-5-methyl-isoxazole-4-carboxamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-13-19(20(26-30-13)15-6-4-5-7-16(15)23)21(27)25-22(31)24-11-10-14-8-9-17(28-2)18(12-14)29-3/h4-9,12H,10-11H2,1-3H3,(H2,24,25,27,31)