N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5S4)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5S4)C(=O)N2

InChI

InChI=1S/C22H15N3O3S/c1-12-6-8-18-16(10-12)24-20(26)14-11-13(7-9-17(14)28-18)23-21(27)22-25-15-4-2-3-5-19(15)29-22/h2-11H,1H3,(H,23,27)(H,24,26)