N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3-butoxypropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCOCCCNC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O4S/c1-2-3-11-25-12-5-10-22-20(24)17-6-4-9-23-21(17)28-16-7-8-18-19(15-16)27-14-13-26-18/h4,6-9,15H,2-3,5,10-14H2,1H3,(H,22,24)