2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-cycloheptyl-ethanamide

Systemtic Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-cycloheptyl-ethanamide Openeye Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-cycloheptyl-acetamide CAS Name: 2-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-cycloheptylacetamide Traditional Name: N-cycloheptyl-2-[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)NC5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC(=O)NC5CCCCCC5

InChI

InChI=1S/C27H29N3O4S/c1-18-8-11-21(12-9-18)30-26(32)22(14-19-10-13-23-24(15-19)34-17-33-23)29-27(30)35-16-25(31)28-20-6-4-2-3-5-7-20/h8-15,20H,2-7,16-17H2,1H3,(H,28,31)/b22-14+