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

Systemtic Name: 3-[3-[2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate hydrobromide Openeye Name: 2-[3-[3-(4-anilino-2,5-dioxo-pyrrol-3-yl)indol-1-yl]propyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 3-[3-(4-anilino-2,5-dioxo-3-pyrrolyl)-1-indolyl]propyl ester hydrobromide IUPAC Name: 3-[3-(4-anilino-2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate hydrobromide Traditional Name: 2-[3-[3-(4-anilino-2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea hydrobromide Formula: C22H22BrN5O2S MolecularWeight: 500.41138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCSC(=N)N.Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCSC(=N)N.Br

InChI

InChI=1S/C22H21N5O2S.BrH/c23-22(24)30-12-6-11-27-13-16(15-9-4-5-10-17(15)27)18-19(21(29)26-20(18)28)25-14-7-2-1-3-8-14;/h1-5,7-10,13H,6,11-12H2,(H3,23,24)(H2,25,26,28,29);1H