N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-isobutyl-2-(1-pentylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-(2-methylpropyl)-2-[(1-pentyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-amylbenzimidazol-2-yl)thio]-N-(1,1-diketothiolan-3-yl)-N-isobutyl-acetamide Formula: C22H33N3O3S2 MolecularWeight: 451.64572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C22H33N3O3S2/c1-4-5-8-12-24-20-10-7-6-9-19(20)23-22(24)29-15-21(26)25(14-17(2)3)18-11-13-30(27,28)16-18/h6-7,9-10,17-18H,4-5,8,11-16H2,1-3H3