2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H23N3O3S2/c1-2-3-9-20(13-8-10-25(22,23)12-13)16(21)11-24-17-18-14-6-4-5-7-15(14)19-17/h4-7,13H,2-3,8-12H2,1H3,(H,18,19)/t13-/m0/s1