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

Systemtic Name: N-aminocarbonyl-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-propanamide Openeye Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-carbamoyl-propanamide CAS Name: 2-[[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: N-carbamoyl-2-[[(4Z)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]propionamide Formula: C22H20N4O5S MolecularWeight: 452.483

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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)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5S/c1-12-3-6-15(7-4-12)26-20(28)16(9-14-5-8-17-18(10-14)31-11-30-17)24-22(26)32-13(2)19(27)25-21(23)29/h3-10,13H,11H2,1-2H3,(H3,23,25,27,29)/b16-9-