N-[4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetyl]phenyl]propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C21H20N4O2S/c1-2-20(27)23-16-10-8-15(9-11-16)19(26)14-28-21-24-17-6-3-4-7-18(17)25(21)13-5-12-22/h3-4,6-11H,2,5,13-14H2,1H3,(H,23,27)