2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-cyclopentyl-propanamide

Systemtic Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-cyclopentyl-propanamide Openeye Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-cyclopentyl-propanamide CAS Name: 2-[[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-cyclopentylpropanamide Traditional Name: N-cyclopentyl-2-[[(4Z)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]propionamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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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=C2SC(C)C(=O)NC5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/N=C2SC(C)C(=O)NC5CCCC5

InChI

InChI=1S/C26H27N3O4S/c1-16-7-10-20(11-8-16)29-25(31)21(13-18-9-12-22-23(14-18)33-15-32-22)28-26(29)34-17(2)24(30)27-19-5-3-4-6-19/h7-14,17,19H,3-6,15H2,1-2H3,(H,27,30)/b21-13-