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

Systemtic Name: N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-heptyl-pentanediamide Openeye Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-heptyl-pentanediamide CAS Name: N'-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]-N-heptylpentanediamide IUPAC Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-heptylpentanediamide Traditional Name: N'-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]-N-heptyl-glutaramide Formula: C32H46BrN5O3S MolecularWeight: 660.70834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)CCCC(=O)NC1=CC(=CC=C1)SC2=C(C=C(C=C2)Br)NC(=O)CCN3CCN(CC3)C

Isomeric SMILES

CCCCCCCNC(=O)CCCC(=O)NC1=CC(=CC=C1)SC2=C(C=C(C=C2)Br)NC(=O)CCN3CCN(CC3)C

InChI

InChI=1S/C32H46BrN5O3S/c1-3-4-5-6-7-17-34-30(39)12-9-13-31(40)35-26-10-8-11-27(24-26)42-29-15-14-25(33)23-28(29)36-32(41)16-18-38-21-19-37(2)20-22-38/h8,10-11,14-15,23-24H,3-7,9,12-13,16-22H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)