N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopropyl-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopropyl-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-cyclopropyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-cyclopropyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)N(C3CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)N([C@H]3CCS(=O)(=O)C3)C4CC4

InChI

InChI=1S/C22H31N3O3S2/c1-2-3-4-7-13-24-20-9-6-5-8-19(20)23-22(24)29-15-21(26)25(17-10-11-17)18-12-14-30(27,28)16-18/h5-6,8-9,17-18H,2-4,7,10-16H2,1H3/t18-/m0/s1