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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanamide Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-16(24(30)27-13-18-7-10-22-23(11-18)32-15-31-22)33-25-28-20-12-19(26)8-9-21(20)29(25)14-17-5-3-2-4-6-17/h2-12,16H,13-15H2,1H3,(H,27,30)