2-[4-methyl-2-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]azepan-1-yl]propanoylazanide; yttrium(3+)

Systemtic Name: 2-[4-methyl-2-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzylsulfanylcarbonylamino)-4-methyl-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[4-methyl-2-oxo-3-[[oxo-(phenylmethylthio)methyl]amino]-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[3-(benzylsulfanylcarbonylamino)-4-methyl-2-oxoazepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-[(benzylthio)carbonylamino]-2-keto-4-methyl-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C18H24N3O3SY+2 MolecularWeight: 451.37231

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1NC(=O)SCC2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

Isomeric SMILES

CC1CCCN(C(=O)C1NC(=O)SCC2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

InChI

InChI=1S/C18H25N3O3S.Y/c1-12-7-6-10-21(13(2)16(19)22)17(23)15(12)20-18(24)25-11-14-8-4-3-5-9-14;/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H3,19,20,22,24);/q;+3/p-1