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

Systemtic Name: N-[(4-tert-butylphenyl)carbamothioyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(4-tert-butylphenyl)carbamothioyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide CAS Name: N-[(4-tert-butylanilino)-sulfanylidenemethyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)carbamothioyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(4-tert-butylphenyl)thiocarbamoyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c1-13-18(19(26-28-13)16-7-5-6-8-17(16)23)20(27)25-21(29)24-15-11-9-14(10-12-15)22(2,3)4/h5-12H,1-4H3,(H2,24,25,27,29)