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

Systemtic Name: 3-[4-bromanyl-3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[4-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[4-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[4-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[4-bromo-3-[4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-3-yl]indol-1-yl]propyl]isothiourea Formula: C24H20BrN5O2S MolecularWeight: 522.4169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C(=CC=C5)Br)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C(=CC=C5)Br)CCCSC(=N)N

InChI

InChI=1S/C24H20BrN5O2S/c25-16-6-3-8-18-19(16)15(12-30(18)9-4-10-33-24(26)27)21-20(22(31)29-23(21)32)14-11-28-17-7-2-1-5-13(14)17/h1-3,5-8,11-12,28H,4,9-10H2,(H3,26,27)(H,29,31,32)