2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-thiochroman-4-yl-pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-thiochroman-4-yl-nicotinamide Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4S2/c28-22(26-15-7-8-19-20(12-15)31-14-30-19)13-33-24-17(5-3-10-25-24)23(29)27-18-9-11-32-21-6-2-1-4-16(18)21/h1-8,10,12,18H,9,11,13-14H2,(H,26,28)(H,27,29)