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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-methylbenzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C19H19N3O3S/c1-12(26-19-21-14-5-3-4-6-15(14)22(19)2)18(23)20-10-13-7-8-16-17(9-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)/t12-/m1/s1