N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-35-16-15-24(26-29-22-13-7-8-14-23(22)30-26)31-27(33)25-17-20-11-5-6-12-21(20)18-32(25)28(34)19-9-3-2-4-10-19/h2-14,24-25H,15-18H2,1H3,(H,29,30)(H,31,33)/t24-,25?/m0/s1