2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(dimethylamino)pyridin-3-yl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(dimethylamino)pyridin-3-yl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(dimethylamino)-3-pyridyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[6-(dimethylamino)-3-pyridinyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(dimethylamino)pyridin-3-yl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[6-(dimethylamino)-3-pyridyl]benzamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N4O2S/c1-26(2)20-12-11-16(13-23-20)24-21(27)17-8-4-3-7-15(17)14-29-22-25-18-9-5-6-10-19(18)28-22/h3-13H,14H2,1-2H3,(H,24,27)