N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-phenethyl-pentanediamide

Systemtic Name: N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-phenethyl-pentanediamide Openeye Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-phenethyl-pentanediamide CAS Name: N'-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]-N-phenethylpentanediamide IUPAC Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-phenethylpentanediamide Traditional Name: N'-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]-N-phenethyl-glutaramide Formula: C33H40BrN5O3S MolecularWeight: 666.6714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C33H40BrN5O3S/c1-38-19-21-39(22-20-38)18-16-33(42)37-29-23-26(34)13-14-30(29)43-28-10-5-9-27(24-28)36-32(41)12-6-11-31(40)35-17-15-25-7-3-2-4-8-25/h2-5,7-10,13-14,23-24H,6,11-12,15-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)