1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[4-[[5-(4-bromobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butanoyl]-2-methyl-piperazino]hexan-1-one Formula: C31H37BrN6O2S MolecularWeight: 637.63348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

InChI

InChI=1S/C31H37BrN6O2S/c1-3-4-5-11-28(40)37-18-17-36(20-22(37)2)27(39)12-8-19-41-31-33-30-29(34-35-31)25-9-6-7-10-26(25)38(30)21-23-13-15-24(32)16-14-23/h6-7,9-10,13-16,22H,3-5,8,11-12,17-21H2,1-2H3