(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(1-allylbenzimidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)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)22-15-8-9-18-19(13-15)27-12-11-26-18/h3-9,13-14H,1,10-12H2,2H3,(H,22,25)/t14-/m0/s1