3-azanyl-4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzamide

Systemtic Name: 3-azanyl-4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzamide Openeye Name: 3-amino-4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]benzamide CAS Name: 3-amino-4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]benzamide IUPAC Name: 3-amino-4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzamide Traditional Name: 3-amino-4-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]benzamide Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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