N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-N'-[4-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanylphenyl]pentanediamide

Systemtic Name: N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-N'-[4-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanylphenyl]pentanediamide Openeye Name: N-[3-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxypropyl]-N'-[4-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)vinyl]-5-[(2E)-2-(3-ethyl-1,1-dimethyl-benzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanylphenyl]pentanediamide CAS Name: N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxypropyl]-N'-[4-[[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethyl-2-benzo[e]indol-3-iumyl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethyl-2-benzo[e]indolylidene)ethylidene]-1-cyclopentenyl]thio]phenyl]pentanediamide IUPAC Name: N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-N'-[4-[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanylphenyl]pentanediamide Traditional Name: N-[3-[2-cyanoethoxy-(diisopropylamino)phosphino]oxypropyl]-N'-[4-[[(5E)-2-[(E)-2-(3-ethyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)vinyl]-5-[(2E)-2-(3-ethyl-1,1-dimethyl-benz[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]thio]phenyl]glutaramide Formula: C64H78N6O4PS+ MolecularWeight: 1058.380681

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=C4CCC(=C4SC5=CC=C(C=C5)NC(=O)CCCC(=O)NCCCOP(N(C(C)C)C(C)C)OCCC#N)C=CC6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)CC)(C)C

Isomeric SMILES

CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCC(=C4SC5=CC=C(C=C5)NC(=O)CCCC(=O)NCCCOP(N(C(C)C)C(C)C)OCCC#N)/C=C/C6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)CC)(C)C

InChI

InChI=1S/C64H77N6O4PS/c1-11-68-54-36-28-46-20-13-15-22-52(46)60(54)63(7,8)56(68)38-30-48-26-27-49(31-39-57-64(9,10)61-53-23-16-14-21-47(53)29-37-55(61)69(57)12-2)62(48)76-51-34-32-50(33-35-51)67-59(72)25-17-24-58(71)66-41-19-43-74-75(73-42-18-40-65)70(44(3)4)45(5)6/h13-16,20-23,28-39,44-45H,11-12,17-19,24-27,41-43H2,1-10H3,(H-,66,67,71,72)/p+1