N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(p-tolylthio)nicotinamide Formula: C23H35N5OS MolecularWeight: 429.6219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5OS/c1-19-8-10-20(11-9-19)30-23-21(7-4-17-28-23)22(29)27-18-6-16-26-14-3-2-13-25-15-5-12-24/h4,7-11,17,25-26H,2-3,5-6,12-16,18,24H2,1H3,(H,27,29)