N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4S/c1-29-18-9-7-17(8-10-18)27-20-5-3-2-4-19(20)26-24(27)32-14-23(28)25-13-16-6-11-21-22(12-16)31-15-30-21/h2-12H,13-15H2,1H3,(H,25,28)