2-[(2,6-dimethylpiperidin-1-yl)amino]-3-(phenylmethylsulfanyl)propanenitrile

Systemtic Name: 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-(phenylmethylsulfanyl)propanenitrile Openeye Name: 3-benzylsulfanyl-2-[(2,6-dimethyl-1-piperidyl)amino]propanenitrile CAS Name: 2-[(2,6-dimethyl-1-piperidinyl)amino]-3-(phenylmethylthio)propanenitrile IUPAC Name: 3-benzylsulfanyl-2-[(2,6-dimethylpiperidin-1-yl)amino]propanenitrile Traditional Name: 3-(benzylthio)-2-[(2,6-dimethylpiperidino)amino]propionitrile Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC(CSCC2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1CCCC(N1NC(CSCC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C17H25N3S/c1-14-7-6-8-15(2)20(14)19-17(11-18)13-21-12-16-9-4-3-5-10-16/h3-5,9-10,14-15,17,19H,6-8,12-13H2,1-2H3