1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenyl-piperazin-2-one; ethanedioic acid

Systemtic Name: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenyl-piperazin-2-one; ethanedioic acid Openeye Name: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenyl-piperazin-2-one; oxalic acid CAS Name: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenyl-2-piperazinone; oxalic acid IUPAC Name: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenylpiperazin-2-one; oxalic acid Traditional Name: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenyl-piperazin-2-one; oxalic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2SC(=N1)CN3CCNC(C3=O)C4=CC=CC=C4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(C2=CC=CC=C2SC(=N1)CN3CCNC(C3=O)C4=CC=CC=C4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3OS.C2H2O4/c1-21(2)16-10-6-7-11-17(16)26-18(23-21)14-24-13-12-22-19(20(24)25)15-8-4-3-5-9-15;3-1(4)2(5)6/h3-11,19,22H,12-14H2,1-2H3;(H,3,4)(H,5,6)