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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2,4-dimethyl-thiazole-5-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2,4-dimethyl-5-thiazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2,4-dimethyl-thiazole-5-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

InChI

InChI=1S/C22H29N3O3S/c1-13(2)9-10-25-17-8-7-16(11-18(17)28-12-22(5,6)21(25)27)24-20(26)19-14(3)23-15(4)29-19/h7-8,11,13H,9-10,12H2,1-6H3,(H,24,26)