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

Systemtic Name: 4-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetyl]amino]-N,N-diethyl-benzamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C23H27ClN2O4S/c1-3-26(4-2)23(28)17-6-8-18(9-7-17)25-21(27)15-31-14-16-12-19(24)22-20(13-16)29-10-5-11-30-22/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,25,27)