N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)piazthiole-5-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22N4O3S/c1-4-9-25-17-8-6-14(11-18(17)28-12-21(2,3)20(25)27)22-19(26)13-5-7-15-16(10-13)24-29-23-15/h5-8,10-11H,4,9,12H2,1-3H3,(H,22,26)