N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-butyl-N-(1,1-dioxo-3-thiolanyl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-butyl-N-(1,1-diketothiolan-3-yl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C

InChI

InChI=1S/C20H27N3O3S2/c1-3-4-11-22(17-9-13-28(25,26)15-17)19(24)14-27-20-21-10-12-23(20)18-8-6-5-7-16(18)2/h5-8,10,12,17H,3-4,9,11,13-15H2,1-2H3