N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-(1,1-dioxo-3-thiolanyl)propanamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-(1,1-diketothiolan-3-yl)propionamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C17H20N4O3S2/c1-12(16(22)19-13-7-10-26(23,24)11-13)25-17-20-14-5-2-3-6-15(14)21(17)9-4-8-18/h2-3,5-6,12-13H,4,7,9-11H2,1H3,(H,19,22)