4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-N'-hydroxy-benzamidine CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-N'-hydroxy-benzamidine Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=NO)N)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=CC=C(C=C1)/C(=N/O)/N)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H19N3O3S/c1-16(12-6-7-20(18,19)9-12)8-10-2-4-11(5-3-10)13(14)15-17/h2-5,12,17H,6-9H2,1H3,(H2,14,15)