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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-phenylthiazol-2-yl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]isoxazole-4-carboxamide Formula: C21H15ClN4O2S2 MolecularWeight: 454.9524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN4O2S2/c1-12-17(18(26-28-12)14-9-5-6-10-15(14)22)19(27)24-20(29)25-21-23-16(11-30-21)13-7-3-2-4-8-13/h2-11H,1H3,(H2,23,24,25,27,29)