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

Systemtic Name: 4-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[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=C(C=C3)C(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=C(C=C3)C(=O)N)Cl)OC1

InChI

InChI=1S/C19H19ClN2O4S/c20-15-8-12(9-16-18(15)26-7-1-6-25-16)10-27-11-17(23)22-14-4-2-13(3-5-14)19(21)24/h2-5,8-9H,1,6-7,10-11H2,(H2,21,24)(H,22,23)