1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C21H22N4S2 MolecularWeight: 394.55618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN2CCCC(C2)C3=NC4=CC=CC=C4S3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C#N)C

InChI

InChI=1S/C21H22N4S2/c1-14-10-15(2)25(21(26)17(14)11-22)13-24-9-5-6-16(12-24)20-23-18-7-3-4-8-19(18)27-20/h3-4,7-8,10,16H,5-6,9,12-13H2,1-2H3/t16-/m1/s1