(5E)-5-(1,3-benzodioxol-4-ylmethylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-4-ylmethylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-4-ylmethylene)-2-(4-methylpiperazin-1-yl)thiazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-4-ylmethylidene)-2-(4-methyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-4-ylmethylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(1,3-benzodioxol-4-ylmethylene)-2-(4-methylpiperazino)-2-thiazolin-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=O)C(=CC3=C4C(=CC=C3)OCO4)S2

Isomeric SMILES

CN1CCN(CC1)C2=NC(=O)/C(=C\C3=C4C(=CC=C3)OCO4)/S2

InChI

InChI=1S/C16H17N3O3S/c1-18-5-7-19(8-6-18)16-17-15(20)13(23-16)9-11-3-2-4-12-14(11)22-10-21-12/h2-4,9H,5-8,10H2,1H3/b13-9+