5-methylsulfanyl-N-[3-[4-[3-[(5-methylsulfanyl-2-nitro-acridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-nitro-acridin-9-amine

Systemtic Name: 5-methylsulfanyl-N-[3-[4-[3-[(5-methylsulfanyl-2-nitro-acridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-nitro-acridin-9-amine Openeye Name: 5-methylsulfanyl-N-[3-[4-[3-[(5-methylsulfanyl-2-nitro-acridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-nitro-acridin-9-amine CAS Name: 5-(methylthio)-N-[3-[4-[3-[[5-(methylthio)-2-nitro-9-acridinyl]amino]propyl]-1-piperazinyl]propyl]-2-nitro-9-acridinamine IUPAC Name: 5-methylsulfanyl-N-[3-[4-[3-[(5-methylsulfanyl-2-nitroacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-nitroacridin-9-amine Traditional Name: [5-(methylthio)-2-nitro-acridin-9-yl]-[3-[4-[3-[[5-(methylthio)-2-nitro-acridin-9-yl]amino]propyl]piperazino]propyl]amine Formula: C38H40N8O4S2 MolecularWeight: 736.9054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C3C=CC(=CC3=C2NCCCN4CCN(CC4)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC=C7SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C3C=CC(=CC3=C2NCCCN4CCN(CC4)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC=C7SC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C38H40N8O4S2/c1-51-33-9-3-7-27-35(29-23-25(45(47)48)11-13-31(29)41-37(27)33)39-15-5-17-43-19-21-44(22-20-43)18-6-16-40-36-28-8-4-10-34(52-2)38(28)42-32-14-12-26(46(49)50)24-30(32)36/h3-4,7-14,23-24H,5-6,15-22H2,1-2H3,(H,39,41)(H,40,42)