4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methylene]-2-(p-tolyl)isoquinoline-1,3-dione CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidino]methylene]-2-(p-tolyl)isoquinoline-1,3-quinone Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCC(CC4)C5=NC6=CC=CC=C6S5)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCC(CC4)C5=NC6=CC=CC=C6S5)C2=O

InChI

InChI=1S/C29H25N3O2S/c1-19-10-12-21(13-11-19)32-28(33)23-7-3-2-6-22(23)24(29(32)34)18-31-16-14-20(15-17-31)27-30-25-8-4-5-9-26(25)35-27/h2-13,18,20H,14-17H2,1H3