N-[3-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propylthio]phenyl]cyclohexanecarboxamide Formula: C23H26ClFN2O2S MolecularWeight: 448.981143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H26ClFN2O2S/c1-2-21(23(29)27-17-11-12-20(25)19(24)14-17)30-18-10-6-9-16(13-18)26-22(28)15-7-4-3-5-8-15/h6,9-15,21H,2-5,7-8H2,1H3,(H,26,28)(H,27,29)