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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-13-2-4-15(9-16(13)21)23-19(25)11-28-20-22-6-7-24(20)10-14-3-5-17-18(8-14)27-12-26-17/h2-9H,10-12H2,1H3,(H,23,25)