[3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]methyl 7-[[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: [3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]methyl 7-[[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]amino]-7-oxidanylidene-heptanoate Openeye Name: (3-bromo-1,4-dioxo-2-naphthyl)methyl 7-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylanilino]-7-oxo-heptanoate CAS Name: 7-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]anilino]-7-oxoheptanoic acid (3-bromo-1,4-dioxo-2-naphthalenyl)methyl ester IUPAC Name: (3-bromo-1,4-dioxonaphthalen-2-yl)methyl 7-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylanilino]-7-oxoheptanoate Traditional Name: 7-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]anilino]-7-keto-enanthic acid (3-bromo-1,4-diketo-2-naphthyl)methyl ester Formula: C38H40Br2N4O6S MolecularWeight: 840.6204

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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)CCCCCC(=O)OCC4=C(C(=O)C5=CC=CC=C5C4=O)Br

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CCCCCC(=O)OCC4=C(C(=O)C5=CC=CC=C5C4=O)Br

InChI

InChI=1S/C38H40Br2N4O6S/c1-43-18-20-44(21-19-43)17-16-34(46)42-31-22-25(39)14-15-32(31)51-27-9-7-8-26(23-27)41-33(45)12-3-2-4-13-35(47)50-24-30-36(40)38(49)29-11-6-5-10-28(29)37(30)48/h5-11,14-15,22-23H,2-4,12-13,16-21,24H2,1H3,(H,41,45)(H,42,46)