[1-[2-[(4-fluorophenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-[2-[(4-fluorophenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-fluoro-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(4-fluorobenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-fluoro-benzamide hydroiodide Formula: C18H18FIN4OS MolecularWeight: 484.329593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)F)SC(=N)N.I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)F)SC(=N)N.I

InChI

InChI=1S/C18H17FN4OS.HI/c19-13-7-5-12(6-8-13)17(24)22-9-10-23-11-16(25-18(20)21)14-3-1-2-4-15(14)23;/h1-8,11H,9-10H2,(H3,20,21)(H,22,24);1H