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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-propan-2-ylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-isopropylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(propan-2-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-propan-2-ylsulfanylpyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(isopropylthio)nicotinamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H20N2O3S/c1-12(2)24-18-14(4-3-7-19-18)17(21)20-11-13-5-6-15-16(10-13)23-9-8-22-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,21)