N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H18N4O4S2/c1-13(28)25-14-4-6-17-20(11-14)33-23(26-17)27-21(29)16-3-2-8-24-22(16)32-15-5-7-18-19(12-15)31-10-9-30-18/h2-8,11-12H,9-10H2,1H3,(H,25,28)(H,26,27,29)