N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloranyl-6-fluoranyl-phenyl)-5-ethylsulfanyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloranyl-6-fluoranyl-phenyl)-5-ethylsulfanyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluoro-phenyl)-5-ethylsulfanyl-isoxazole-4-carboxamide CAS Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluorophenyl)-5-(ethylthio)-4-isoxazolecarboxamide IUPAC Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluorophenyl)-5-ethylsulfanyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluoro-phenyl)-5-(ethylthio)isoxazole-4-carboxamide Formula: C26H27ClFN3O3S MolecularWeight: 516.027283

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCC(C3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCC(C3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClFN3O3S/c1-2-35-26-22(23(31-34-26)21-19(27)12-7-13-20(21)28)25(33)30-18-11-6-8-16(14-18)15-29-24(32)17-9-4-3-5-10-17/h3-5,7,9-10,12-13,16,18H,2,6,8,11,14-15H2,1H3,(H,29,32)(H,30,33)