2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]amino]-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N4O5S/c1-26(13-20(27)24-16-6-3-4-7-19(16)32-2)14-21(28)25-22(29)23-15-8-9-17-18(12-15)31-11-5-10-30-17/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,24,27)(H2,23,25,28,29)