2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetyl]amino]benzamide Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3C(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3C(=O)N)Cl)OC1

InChI

InChI=1S/C19H19ClN2O4S/c20-14-8-12(9-16-18(14)26-7-3-6-25-16)10-27-11-17(23)22-15-5-2-1-4-13(15)19(21)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H2,21,24)(H,22,23)