(2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-methyl-propanenitrile CAS Name: (2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-methylpropanenitrile IUPAC Name: (2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylpropanenitrile Traditional Name: (2S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-methyl-propionitrile Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC(C1)C2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C[C@@H](CN1CCC[C@@H](C1)C2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C16H19N3S/c1-12(9-17)10-19-8-4-5-13(11-19)16-18-14-6-2-3-7-15(14)20-16/h2-3,6-7,12-13H,4-5,8,10-11H2,1H3/t12-,13+/m1/s1