N-(1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(N3C)C4=CC=CC=C4

InChI

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