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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-thiadiazole-5-carboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C20H26N4O3S/c1-12(2)8-9-24-15-10-14(21-18(25)17-13(3)22-23-28-17)6-7-16(15)27-11-20(4,5)19(24)26/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,25)