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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H18ClN3O2S/c1-3-13-8-10-14(11-9-13)22-20(27)23-19(25)17-12(2)26-24-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H2,22,23,25,27)