N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-methyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-methyl-propanamide Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-propanamide CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-N-(1,1-dioxo-3-thiolanyl)-N-methylpropanamide IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-N-(1,1-diketothiolan-3-yl)-N-methyl-propionamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)SC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)SC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O3S2/c1-12(16(22)20(2)15-7-10-26(23,24)11-15)25-17-19-8-9-21(17)14-5-3-13(18)4-6-14/h3-6,8-9,12,15H,7,10-11H2,1-2H3