N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(phenylthio)nicotinamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-25(2)22(14-8-3-4-9-15-22)17-24-20(26)19-13-10-16-23-21(19)27-18-11-6-5-7-12-18/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,24,26)