N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H25N3O3S/c1-14(2)12-26-17-10-9-15(11-18(17)29-13-23(3,4)22(26)28)24-20(27)21-25-16-7-5-6-8-19(16)30-21/h5-11,14H,12-13H2,1-4H3,(H,24,27)