(2R)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]-N-phenyl-propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N4O2S/c1-17(21(27)25(15-6-13-23)18-7-4-3-5-8-18)29-22-24-14-16-26(22)19-9-11-20(28-2)12-10-19/h3-5,7-12,14,16-17H,6,15H2,1-2H3/t17-/m1/s1