N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)N(C1=O)CC=C)C

InChI

InChI=1S/C22H21N3O3S/c1-4-11-25-16-10-9-14(12-17(16)28-13-22(2,3)21(25)27)23-19(26)20-24-15-7-5-6-8-18(15)29-20/h4-10,12H,1,11,13H2,2-3H3,(H,23,26)