2-[2-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]azepan-1-yl]propanoylazanide; yttrium(3+)

Systemtic Name: 2-[2-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzylsulfanylcarbonylamino)-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [1-oxo-2-[2-oxo-3-[[oxo-(phenylmethylthio)methyl]amino]-1-azepanyl]propyl]azanide; yttrium(3+) IUPAC Name: 2-[3-(benzylsulfanylcarbonylamino)-2-oxoazepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-[(benzylthio)carbonylamino]-2-keto-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C17H22N3O3SY+2 MolecularWeight: 437.34573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[NH-])N1CCCCC(C1=O)NC(=O)SCC2=CC=CC=C2.[Y+3]

Isomeric SMILES

CC(C(=O)[NH-])N1CCCCC(C1=O)NC(=O)SCC2=CC=CC=C2.[Y+3]

InChI

InChI=1S/C17H23N3O3S.Y/c1-12(15(18)21)20-10-6-5-9-14(16(20)22)19-17(23)24-11-13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H3,18,19,21,23);/q;+3/p-1