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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H31N5O3S/c1-16(2)30-14-17(22(32)27-25(3,4)5)21(31)18(15-30)23(33)28-10-12-29(13-11-28)24-26-19-8-6-7-9-20(19)34-24/h6-9,14-16H,10-13H2,1-5H3,(H,27,32)