N-(4-nitrobutan-2-ylcarbamothioyl)benzamide; yttrium(3+)

Systemtic Name: N-(4-nitrobutan-2-ylcarbamothioyl)benzamide; yttrium(3+) Openeye Name: N-[(1-methyl-3-nitro-propyl)carbamothioyl]benzamide; yttrium(3+) CAS Name: N-[(4-nitrobutan-2-ylamino)-sulfanylidenemethyl]benzamide; yttrium(3+) IUPAC Name: N-(4-nitrobutan-2-ylcarbamothioyl)benzamide; yttrium(3+) Traditional Name: N-[(1-methyl-3-nitro-propyl)thiocarbamoyl]benzamide; yttrium(3+) Formula: C12H14N3O3SY+2 MolecularWeight: 369.22871

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](CC[N+](=O)[O-])NC(=S)NC(=O)C1=CC=CC=C1.[Y+3]

Isomeric SMILES

C[C-](CC[N+](=O)[O-])NC(=S)NC(=O)C1=CC=CC=C1.[Y+3]

InChI

InChI=1S/C12H14N3O3S.Y/c1-9(7-8-15(17)18)13-12(19)14-11(16)10-5-3-2-4-6-10;/h2-6H,7-8H2,1H3,(H2,13,14,16,19);/q-1;+3