3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(phenylcarbamothioyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(phenylcarbamothioyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(phenylcarbamothioyl)isoxazole-4-carboxamide CAS Name: N-[anilino(sulfanylidene)methyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(phenylcarbamothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(phenylthiocarbamoyl)isoxazole-4-carboxamide Formula: C18H13Cl2N3O2S MolecularWeight: 406.28572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O2S/c1-10-14(16(23-25-10)15-12(19)8-5-9-13(15)20)17(24)22-18(26)21-11-6-3-2-4-7-11/h2-9H,1H3,(H2,21,22,24,26)