N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]pyridine-4-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylthio)phenyl]-4-pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-N-[3-(dimethylamino)propyl]isonicotinamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C24H27N3OS/c1-26(2)17-8-18-27(24(28)21-13-15-25-16-14-21)22-11-6-7-12-23(22)29-19-20-9-4-3-5-10-20/h3-7,9-16H,8,17-19H2,1-2H3