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

Systemtic Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-cyclohexyl-propanamide CAS Name: 2-[[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-cyclohexylpropanamide IUPAC Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: N-cyclohexyl-2-[[(4Z)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]propionamide 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=C2SC(C)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/N=C2SC(C)C(=O)NC5CCCCC5

InChI

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