N-methyl-4-phenyl-N-(phenylmethyl)-3-[[4-[2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoyl]piperazin-1-yl]methyl]quinoline-2-carboxamide

Systemtic Name: N-methyl-4-phenyl-N-(phenylmethyl)-3-[[4-[2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoyl]piperazin-1-yl]methyl]quinoline-2-carboxamide Openeye Name: N-benzyl-N-methyl-4-phenyl-3-[[4-[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]piperazin-1-yl]methyl]quinoline-2-carboxamide CAS Name: 3-[[4-[2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]-1-piperazinyl]methyl]-N-methyl-4-phenyl-N-(phenylmethyl)-2-quinolinecarboxamide IUPAC Name: N-benzyl-N-methyl-4-phenyl-3-[[4-[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]piperazin-1-yl]methyl]quinoline-2-carboxamide Traditional Name: N-benzyl-3-[[4-[2-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]piperazino]methyl]-N-methyl-4-phenyl-quinaldamide Formula: C37H41N7O5S MolecularWeight: 695.83034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3C(=C2CN4CCN(CC4)C(=O)CNC(=O)CNC(=O)CNC(=O)CS)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3C(=C2CN4CCN(CC4)C(=O)CNC(=O)CNC(=O)CNC(=O)CS)C5=CC=CC=C5

InChI

InChI=1S/C37H41N7O5S/c1-42(23-26-10-4-2-5-11-26)37(49)36-29(35(27-12-6-3-7-13-27)28-14-8-9-15-30(28)41-36)24-43-16-18-44(19-17-43)34(48)22-40-32(46)20-38-31(45)21-39-33(47)25-50/h2-15,50H,16-25H2,1H3,(H,38,45)(H,39,47)(H,40,46)