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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

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