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

Systemtic Name: N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-hexadecyl-pentanediamide Openeye Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-hexadecyl-pentanediamide CAS Name: N'-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]-N-hexadecylpentanediamide IUPAC Name: N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]-N-hexadecylpentanediamide Traditional Name: N'-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]-N-cetyl-glutaramide Formula: C41H64BrN5O3S MolecularWeight: 786.94756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H64BrN5O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-43-39(48)21-18-22-40(49)44-35-19-17-20-36(33-35)51-38-24-23-34(42)32-37(38)45-41(50)25-27-47-30-28-46(2)29-31-47/h17,19-20,23-24,32-33H,3-16,18,21-22,25-31H2,1-2H3,(H,43,48)(H,44,49)(H,45,50)