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

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzenecarbothioamide Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]benzenecarbothioamide CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]benzenecarbothioamide IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzenecarbothioamide Traditional Name: 4-[[(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=C(C=C1)C(=S)N)C2CCS(=O)(=O)C2

Isomeric SMILES

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

InChI

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