4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-methoxy-3-pyridyl)methyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(2-methoxy-3-pyridyl)methyl]benzamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O2S2/c1-27-21-17(5-4-12-23-21)13-24-20(26)16-10-8-15(9-11-16)14-28-22-25-18-6-2-3-7-19(18)29-22/h2-12H,13-14H2,1H3,(H,24,26)