2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)nicotinamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

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