N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-phenyl-propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H26N4O3S/c1-3-28-21(19-10-11-22-23(16-19)32-15-14-31-22)17-27-25(28)33-18(2)24(30)29(13-7-12-26)20-8-5-4-6-9-20/h4-6,8-11,16-18H,3,7,13-15H2,1-2H3