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

Systemtic Name: N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-(cyclohexylmethyl)pentanediamide Openeye Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-(cyclohexylmethyl)pentanediamide CAS Name: N'-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]-N-(cyclohexylmethyl)pentanediamide IUPAC Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-(cyclohexylmethyl)pentanediamide Traditional Name: N'-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]-N-(cyclohexylmethyl)glutaramide Formula: C32H44BrN5O3S MolecularWeight: 658.69246

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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)NCC4CCCCC4

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NCC4CCCCC4

InChI

InChI=1S/C32H44BrN5O3S/c1-37-17-19-38(20-18-37)16-15-32(41)36-28-21-25(33)13-14-29(28)42-27-10-5-9-26(22-27)35-31(40)12-6-11-30(39)34-23-24-7-3-2-4-8-24/h5,9-10,13-14,21-22,24H,2-4,6-8,11-12,15-20,23H2,1H3,(H,34,39)(H,35,40)(H,36,41)