N-[[2-[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[[2-[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[[2-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[4-[(2-ketopyrrolidino)methyl]phenyl]benzyl]-1,3-benzothiazole-6-carboxamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C26H23N3O2S/c30-25-6-3-13-29(25)16-18-7-9-19(10-8-18)22-5-2-1-4-21(22)15-27-26(31)20-11-12-23-24(14-20)32-17-28-23/h1-2,4-5,7-12,14,17H,3,6,13,15-16H2,(H,27,31)