N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(methylthio)nicotinamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H24N2O3S/c1-13(2)18(22-19(23)15-6-4-9-21-20(15)26-3)14-7-8-16-17(12-14)25-11-5-10-24-16/h4,6-9,12-13,18H,5,10-11H2,1-3H3,(H,22,23)/t18-/m1/s1