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

Systemtic Name: N-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N'-(diphenylmethyl)pentanediamide Openeye Name: N'-benzhydryl-N-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]pentanediamide CAS Name: N-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]-N'-(diphenylmethyl)pentanediamide IUPAC Name: N'-benzhydryl-N-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]pentanediamide Traditional Name: N'-benzhydryl-N-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]glutaramide Formula: C38H42BrN5O3S MolecularWeight: 728.74078

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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)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H42BrN5O3S/c1-43-22-24-44(25-23-43)21-20-37(47)41-33-26-30(39)18-19-34(33)48-32-15-8-14-31(27-32)40-35(45)16-9-17-36(46)42-38(28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-15,18-19,26-27,38H,9,16-17,20-25H2,1H3,(H,40,45)(H,41,47)(H,42,46)