3-[5-fluoranyl-3-[4-indol-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[5-fluoranyl-3-[4-indol-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[5-fluoro-3-(4-indol-1-yl-2,5-dioxo-pyrrol-3-yl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[5-fluoro-3-[4-(1-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[5-fluoro-3-(4-indol-1-yl-2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[5-fluoro-3-(4-indol-1-yl-2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea Formula: C24H20FN5O2S MolecularWeight: 461.511303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)F)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)F)CCCSC(=N)N

InChI

InChI=1S/C24H20FN5O2S/c25-15-6-7-19-16(12-15)17(13-29(19)9-3-11-33-24(26)27)20-21(23(32)28-22(20)31)30-10-8-14-4-1-2-5-18(14)30/h1-2,4-8,10,12-13H,3,9,11H2,(H3,26,27)(H,28,31,32)