2-[3-[4-[3-[5-azanyl-4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-2-methoxy-phenoxy]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-[3-[5-azanyl-4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-2-methoxy-phenoxy]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[4-[3-[5-amino-4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-[3-[5-amino-4-[[(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-oxomethyl]-2-methoxyphenoxy]propyl]-1-piperazinyl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-[3-[5-amino-4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxyphenoxy]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[4-[3-[5-amino-4-[(2S)-2-[bis(ethylthio)methyl]pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]propyl]piperazino]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C39H51N5O5S2 MolecularWeight: 733.98274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)C2=CC(=C(C=C2N)OCCCN3CCN(CC3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)OC)SCC

Isomeric SMILES

CCSC([C@@H]1CCCN1C(=O)C2=CC(=C(C=C2N)OCCCN3CCN(CC3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)OC)SCC

InChI

InChI=1S/C39H51N5O5S2/c1-4-50-39(51-5-2)32-15-8-18-43(32)38(47)30-25-33(48-3)34(26-31(30)40)49-24-10-17-42-22-20-41(21-23-42)16-9-19-44-36(45)28-13-6-11-27-12-7-14-29(35(27)28)37(44)46/h6-7,11-14,25-26,32,39H,4-5,8-10,15-24,40H2,1-3H3/t32-/m0/s1