3-[2-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(1R)-2-morpholino-2-oxo-1-phenyl-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[(1R)-2-keto-2-morpholino-1-phenyl-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H22N4O2S/c23-11-6-12-26-19-10-5-4-9-18(19)24-22(26)29-20(17-7-2-1-3-8-17)21(27)25-13-15-28-16-14-25/h1-5,7-10,20H,6,12-16H2/t20-/m1/s1