(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(N3C)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-14(20(25)23-16-8-9-18-19(12-16)27-11-10-26-18)28-21-22-13-17(24(21)2)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1