5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C)C#N

InChI

InChI=1S/C23H24N4O2S/c1-14-17(15(2)25-22(29)18(14)12-24)9-10-21(28)27-11-5-6-16(13-27)23-26-19-7-3-4-8-20(19)30-23/h3-4,7-8,16H,5-6,9-11,13H2,1-2H3,(H,25,29)/t16-/m1/s1