N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-propyl-thiadiazole-5-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-propyl-5-thiadiazolecarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-propylthiadiazole-5-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-propyl-thiadiazole-5-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

InChI

InChI=1S/C20H24N4O3S/c1-5-7-14-17(28-23-22-14)18(25)21-13-8-9-16-15(11-13)24(10-6-2)19(26)20(3,4)12-27-16/h6,8-9,11H,2,5,7,10,12H2,1,3-4H3,(H,21,25)