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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2-(dimethylamino)-3-pyridyl]methyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[[2-(dimethylamino)-3-pyridyl]methyl]benzamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N4OS2/c1-27(2)21-18(6-5-13-24-21)14-25-22(28)17-11-9-16(10-12-17)15-29-23-26-19-7-3-4-8-20(19)30-23/h3-13H,14-15H2,1-2H3,(H,25,28)