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

Systemtic Name: N-(1-adamantylmethyl)-N'-[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]pentanediamide Openeye Name: N-(1-adamantylmethyl)-N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]pentanediamide CAS Name: N-(1-adamantylmethyl)-N'-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]phenyl]pentanediamide IUPAC Name: N-(1-adamantylmethyl)-N'-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]pentanediamide Traditional Name: N-(1-adamantylmethyl)-N'-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]phenyl]glutaramide Formula: C36H48BrN5O3S MolecularWeight: 710.76702

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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)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCC(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C36H48BrN5O3S/c1-41-12-14-42(15-13-41)11-10-35(45)40-31-19-28(37)8-9-32(31)46-30-5-2-4-29(20-30)39-34(44)7-3-6-33(43)38-24-36-21-25-16-26(22-36)18-27(17-25)23-36/h2,4-5,8-9,19-20,25-27H,3,6-7,10-18,21-24H2,1H3,(H,38,43)(H,39,44)(H,40,45)