2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[6-(dimethylamino)-3-pyridyl]benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[6-(dimethylamino)-3-pyridinyl]benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[6-(dimethylamino)-3-pyridyl]benzamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N4O4S/c1-27(2)21-10-8-16(12-24-21)26-23(29)17-5-3-4-6-20(17)32-13-22(28)25-15-7-9-18-19(11-15)31-14-30-18/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29)