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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Formula: C21H12ClN3O3S MolecularWeight: 421.85628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O

InChI

InChI=1S/C21H12ClN3O3S/c22-11-5-7-17-15(9-11)24-19(26)13-10-12(6-8-16(13)28-17)23-20(27)21-25-14-3-1-2-4-18(14)29-21/h1-10H,(H,23,27)(H,24,26)