2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(2-ketoazepan-1-yl)propyl]nicotinamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN3CCCCCC3=O)C

InChI

InChI=1S/C23H29N3O2S/c1-17-10-11-19(16-18(17)2)29-23-20(8-6-12-25-23)22(28)24-13-7-15-26-14-5-3-4-9-21(26)27/h6,8,10-12,16H,3-5,7,9,13-15H2,1-2H3,(H,24,28)