2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylpropanamide

Systemtic Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylpropanamide Openeye Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylpropanamide CAS Name: 2-[[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]propanamide IUPAC Name: 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylpropanamide Traditional Name: 2-[[(4Z)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-12-3-6-15(7-4-12)24-20(26)16(23-21(24)29-13(2)19(22)25)9-14-5-8-17-18(10-14)28-11-27-17/h3-10,13H,11H2,1-2H3,(H2,22,25)/b16-9-