N-[2-methyl-5-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[2-methyl-5-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[5-[[2-[(3-benzyl-2-quinolyl)sulfanyl]acetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[2-methyl-5-[[1-oxo-2-[[3-(phenylmethyl)-2-quinolinyl]thio]ethyl]amino]phenyl]propanamide IUPAC Name: N-[5-[[2-(3-benzylquinolin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[5-[[2-[(3-benzyl-2-quinolyl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O2S/c1-3-26(32)30-25-17-23(14-13-19(25)2)29-27(33)18-34-28-22(15-20-9-5-4-6-10-20)16-21-11-7-8-12-24(21)31-28/h4-14,16-17H,3,15,18H2,1-2H3,(H,29,33)(H,30,32)