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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)piazthiole-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)N(C1=O)CC=C)C

InChI

InChI=1S/C21H20N4O3S/c1-4-9-25-17-11-14(6-8-18(17)28-12-21(2,3)20(25)27)22-19(26)13-5-7-15-16(10-13)24-29-23-15/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,26)