N3-(1,3-benzothiazol-2-ylmethyl)-N5-methyl-4-oxidanylidene-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-(1,3-benzothiazol-2-ylmethyl)-N5-methyl-4-oxidanylidene-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide Openeye Name: N3-(1,3-benzothiazol-2-ylmethyl)-N5-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide CAS Name: N3-(1,3-benzothiazol-2-ylmethyl)-N5-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-(1,3-benzothiazol-2-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-N'-methyl-1-(3-phenylpropyl)dinicotinamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=NC3=CC=CC=C3S2)CCCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=NC3=CC=CC=C3S2)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-26-24(31)18-15-29(13-7-10-17-8-3-2-4-9-17)16-19(23(18)30)25(32)27-14-22-28-20-11-5-6-12-21(20)33-22/h2-6,8-9,11-12,15-16H,7,10,13-14H2,1H3,(H,26,31)(H,27,32)