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

Systemtic Name: 3-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

InChI

InChI=1S/C22H23ClN2O4S/c23-18-9-14(10-19-21(18)29-8-2-7-28-19)12-30-13-20(26)24-17-4-1-3-15(11-17)22(27)25-16-5-6-16/h1,3-4,9-11,16H,2,5-8,12-13H2,(H,24,26)(H,25,27)