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

Systemtic Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS2/c1-13-10-14(2)25(21(27)18(13)19(22)26)12-24-9-5-6-15(11-24)20-23-16-7-3-4-8-17(16)28-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H2,22,26)/t15-/m1/s1