N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxidanylidene-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxidanylidene-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-2-phenethyl-1-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-2-phenethyl-1-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-6-methyl-2-phenethyl-1-(4-pyridylmethyl)nicotinamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=NC=C2)CCC3=CC=CC=C3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=NC=C2)CCC3=CC=CC=C3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H26N4O2S/c1-20-17-25(34)28(29(35)31-18-27-32-23-9-5-6-10-26(23)36-27)24(12-11-21-7-3-2-4-8-21)33(20)19-22-13-15-30-16-14-22/h2-10,13-17H,11-12,18-19H2,1H3,(H,31,35)