5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-isobutyl-1-isopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-isobutyl-1-isopropyl-4-keto-nicotinamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(C)C

InChI

InChI=1S/C25H31N5O3S/c1-16(2)13-26-23(32)18-14-30(17(3)4)15-19(22(18)31)24(33)28-9-11-29(12-10-28)25-27-20-7-5-6-8-21(20)34-25/h5-8,14-17H,9-13H2,1-4H3,(H,26,32)