1-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]methyl]-3-(4-bromophenyl)imidazole-2-thione

Systemtic Name: 1-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]methyl]-3-(4-bromophenyl)imidazole-2-thione Openeye Name: 1-(4-bromophenyl)-3-[[(1,1-dioxothiolan-3-yl)-propyl-amino]methyl]imidazole-2-thione CAS Name: 1-(4-bromophenyl)-3-[[(1,1-dioxo-3-thiolanyl)-propylamino]methyl]-2-imidazolethione IUPAC Name: 1-(4-bromophenyl)-3-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]imidazole-2-thione Traditional Name: 1-(4-bromophenyl)-3-[[(1,1-diketothiolan-3-yl)-propyl-amino]methyl]-4-imidazoline-2-thione Formula: C17H22BrN3O2S2 MolecularWeight: 444.40948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CN1C=CN(C1=S)C2=CC=C(C=C2)Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCN(CN1C=CN(C1=S)C2=CC=C(C=C2)Br)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H22BrN3O2S2/c1-2-8-19(16-7-11-25(22,23)12-16)13-20-9-10-21(17(20)24)15-5-3-14(18)4-6-15/h3-6,9-10,16H,2,7-8,11-13H2,1H3