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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]isoxazole-4-carboxamide Formula: C23H23ClN4O4S2 MolecularWeight: 519.03612

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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)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H23ClN4O4S2/c1-15-20(21(27-32-15)18-7-3-4-8-19(18)24)22(29)26-23(33)25-16-9-11-17(12-10-16)34(30,31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,25,26,29,33)