(2E)-2-(phenylmethylidene)-5-(2,2,3-trimethylpiperazin-1-yl)thiomorpholin-3-one

Systemtic Name: (2E)-2-(phenylmethylidene)-5-(2,2,3-trimethylpiperazin-1-yl)thiomorpholin-3-one Openeye Name: (2E)-2-benzylidene-5-(2,2,3-trimethylpiperazin-1-yl)thiomorpholin-3-one CAS Name: (2E)-2-(phenylmethylene)-5-(2,2,3-trimethyl-1-piperazinyl)-3-thiomorpholinone IUPAC Name: (2E)-2-benzylidene-5-(2,2,3-trimethylpiperazin-1-yl)thiomorpholin-3-one Traditional Name: (2E)-2-benzal-5-(2,2,3-trimethylpiperazino)thiomorpholin-3-one Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)C2CSC(=CC3=CC=CC=C3)C(=O)N2)(C)C

Isomeric SMILES

CC1C(N(CCN1)C2CS/C(=C/C3=CC=CC=C3)/C(=O)N2)(C)C

InChI

InChI=1S/C18H25N3OS/c1-13-18(2,3)21(10-9-19-13)16-12-23-15(17(22)20-16)11-14-7-5-4-6-8-14/h4-8,11,13,16,19H,9-10,12H2,1-3H3,(H,20,22)/b15-11+