7,9-bis(butylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 7,9-bis(butylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7,9-bis(butylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7,9-bis(butylthio)-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 7,9-bis(butylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7,9-bis(butylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)SCCCC

Isomeric SMILES

CCCCSC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)SCCCC

InChI

InChI=1S/C21H25NO2S2/c1-3-5-11-25-15-13-18-20(19(14-15)26-12-6-4-2)21(23)22-16-9-7-8-10-17(16)24-18/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,23)