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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Traditional Name: 2-(benzylthio)-N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C22H17ClN2O3S/c23-15-6-8-20-18(10-15)25-22(27)17-11-16(7-9-19(17)28-20)24-21(26)13-29-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,26)(H,25,27)