N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-tert-butyl-N-[(2-ketopyrrolidino)methyl]benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-23(2,3)17-12-10-16(11-13-17)21(28)26(15-25-14-6-9-20(25)27)22-24-18-7-4-5-8-19(18)29-22/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3