N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(p-tolylmethyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(4-methylbenzyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-15-2-4-16(5-3-15)12-24-9-8-22-21(24)28-13-20(25)23-11-17-6-7-18-19(10-17)27-14-26-18/h2-10H,11-14H2,1H3,(H,23,25)