(2E)-4-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dimethylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one

Systemtic Name: (2E)-4-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dimethylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one Openeye Name: (2E)-4-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dimethylpiperazin-1-yl)phenyl]methylene]thiomorpholin-3-one CAS Name: (2E)-4-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dimethyl-1-piperazinyl)phenyl]methylidene]-3-thiomorpholinone IUPAC Name: (2E)-4-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dimethylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one Traditional Name: (2E)-4-(1,3-benzodioxol-5-yl)-2-[2-(2,5-dimethylpiperazino)benzylidene]thiomorpholin-3-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=CC=CC=C2C=C3C(=O)N(CCS3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1CNC(CN1C2=CC=CC=C2/C=C/3\C(=O)N(CCS3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H27N3O3S/c1-16-14-27(17(2)13-25-16)20-6-4-3-5-18(20)11-23-24(28)26(9-10-31-23)19-7-8-21-22(12-19)30-15-29-21/h3-8,11-12,16-17,25H,9-10,13-15H2,1-2H3/b23-11+