(2S)-N-(4-ethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O2S/c1-4-18-9-11-19(12-10-18)26-24(29)17(2)31-25-27-22-7-5-6-8-23(22)28(25)20-13-15-21(30-3)16-14-20/h5-17H,4H2,1-3H3,(H,26,29)/t17-/m0/s1