N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-1,3-benzothiazole-2-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

InChI

InChI=1S/C24H27N3O3S/c1-15(2)11-12-27-18-13-16(9-10-19(18)30-14-24(3,4)23(27)29)25-21(28)22-26-17-7-5-6-8-20(17)31-22/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,28)