2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-(4-morpholinophenyl)acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H23N5O2S/c23-10-3-11-27-20-5-2-1-4-19(20)25-22(27)30-16-21(28)24-17-6-8-18(9-7-17)26-12-14-29-15-13-26/h1-2,4-9H,3,11-16H2,(H,24,28)