3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzenecarbothioamide

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzenecarbothioamide Openeye Name: 3-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]benzenecarbothioamide CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]benzenecarbothioamide IUPAC Name: 3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzenecarbothioamide Traditional Name: 3-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]thiobenzamide Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S2/c1-15(12-5-6-19(16,17)9-12)8-10-3-2-4-11(7-10)13(14)18/h2-4,7,12H,5-6,8-9H2,1H3,(H2,14,18)