N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-1-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-1-methyl-cyclohexane-1-carboxamide Openeye Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-1-methyl-cyclohexanecarboxamide CAS Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]-1-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-1-methylcyclohexane-1-carboxamide Traditional Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]-1-methyl-cyclohexanecarboxamide Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H24ClNO3S/c1-22(9-5-2-6-10-22)21(25)24-17-7-3-4-8-20(17)28-13-15-11-18-19(12-16(15)23)27-14-26-18/h3-4,7-8,11-12H,2,5-6,9-10,13-14H2,1H3,(H,24,25)