N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(phenylthio)nicotinamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-15(16-9-10-19-20(14-16)27-13-12-26-19)24-21(25)18-8-5-11-23-22(18)28-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,24,25)/t15-/m1/s1