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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-allylbenzimidazol-2-yl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C20H19N3O3S/c1-3-10-23-16-7-5-4-6-15(16)22-20(23)27-13(2)19(24)21-14-8-9-17-18(11-14)26-12-25-17/h3-9,11,13H,1,10,12H2,2H3,(H,21,24)/t13-/m1/s1