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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]-N-piperonyl-propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CCOC

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3CCOC

InChI

InChI=1S/C21H23N3O4S/c1-14(20(25)22-12-15-7-8-18-19(11-15)28-13-27-18)29-21-23-16-5-3-4-6-17(16)24(21)9-10-26-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,25)