N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloranyl-5-methylsulfanyl-benzamide

Systemtic Name: N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloro-5-(methylthio)benzamide IUPAC Name: N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-(6H-benzo[b][1,4]benzodioxepin-8-yl)-2-chloro-5-(methylthio)benzamide Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4OC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4OC3

InChI

InChI=1S/C21H16ClNO3S/c1-27-15-7-8-17(22)16(11-15)21(24)23-14-6-9-18-13(10-14)12-25-19-4-2-3-5-20(19)26-18/h2-11H,12H2,1H3,(H,23,24)