(2-pentylsulfanylpyridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: (2-pentylsulfanylpyridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: (2-pentylsulfanyl-3-pyridyl)-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [2-(pentylthio)-3-pyridinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: (2-pentylsulfanylpyridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [2-(amylthio)-3-pyridyl]-(4-piperidinopiperidino)methanone Formula: C21H33N3OS MolecularWeight: 375.57122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)N3CCCCC3

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)N3CCCCC3

InChI

InChI=1S/C21H33N3OS/c1-2-3-7-17-26-20-19(9-8-12-22-20)21(25)24-15-10-18(11-16-24)23-13-5-4-6-14-23/h8-9,12,18H,2-7,10-11,13-17H2,1H3