2-(3,4-dimethylphenyl)sulfanyl-N-[3-[methyl-(phenylmethyl)amino]propyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-[methyl-(phenylmethyl)amino]propyl]pyridine-3-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-[methyl-(phenylmethyl)amino]propyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN(C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3OS/c1-19-12-13-22(17-20(19)2)30-25-23(11-7-14-27-25)24(29)26-15-8-16-28(3)18-21-9-5-4-6-10-21/h4-7,9-14,17H,8,15-16,18H2,1-3H3,(H,26,29)