(2S)-N-(4-morpholin-4-ylphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-morpholin-4-ylphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-morpholinophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[4-(4-morpholinyl)phenyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2S)-N-(4-morpholin-4-ylphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-morpholinophenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]propionamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-21(27(33)29-23-11-13-24(14-12-23)31-17-19-34-20-18-31)35-28-30-25-9-5-6-10-26(25)32(28)16-15-22-7-3-2-4-8-22/h2-14,21H,15-20H2,1H3,(H,29,33)/t21-/m0/s1