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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-propyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-propyl-thiadiazole-5-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propyl-5-thiadiazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propylthiadiazole-5-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-propyl-thiadiazole-5-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

InChI

InChI=1S/C21H28N4O3S/c1-6-7-15-18(29-24-23-15)19(26)22-14-8-9-16-17(10-14)28-12-21(4,5)20(27)25(16)11-13(2)3/h8-10,13H,6-7,11-12H2,1-5H3,(H,22,26)