N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-phenyl-acetamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(1,1-dioxo-3-thiolanyl)-N-phenylacetamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(1,1-diketothiolan-3-yl)-N-phenyl-acetamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H29N3O3S2/c1-4-5-12-23-17(3)16(2)22-21(23)28-14-20(25)24(18-9-7-6-8-10-18)19-11-13-29(26,27)15-19/h6-10,19H,4-5,11-15H2,1-3H3