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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-allylbenzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CC=C

InChI

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