[2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-(1-piperidyl)-1-piperidyl]-[2-(p-tolylsulfanyl)-3-pyridyl]methanone CAS Name: [2-[(4-methylphenyl)thio]-3-pyridinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: (4-piperidinopiperidino)-[2-(p-tolylthio)-3-pyridyl]methanone Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C23H29N3OS/c1-18-7-9-20(10-8-18)28-22-21(6-5-13-24-22)23(27)26-16-11-19(12-17-26)25-14-3-2-4-15-25/h5-10,13,19H,2-4,11-12,14-17H2,1H3