(2R)-N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

InChI

InChI=1S/C14H15N3O3S/c1-9(21-14-15-5-6-17(14)2)13(18)16-10-3-4-11-12(7-10)20-8-19-11/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m1/s1