(2R)-N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CCOC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CCOC

InChI

InChI=1S/C20H21N3O4S/c1-13(19(24)21-14-7-8-17-18(11-14)27-12-26-17)28-20-22-15-5-3-4-6-16(15)23(20)9-10-25-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)/t13-/m1/s1