[1-[2-(naphthalen-2-ylcarbonylamino)ethyl]indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-[2-(naphthalen-2-ylcarbonylamino)ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]naphthalene-2-carboxamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[2-naphthalenyl(oxo)methyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-2-naphthamide hydroiodide Formula: C22H21IN4OS MolecularWeight: 516.39781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NCCN3C=C(C4=CC=CC=C43)SC(=N)N.I

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NCCN3C=C(C4=CC=CC=C43)SC(=N)N.I

InChI

InChI=1S/C22H20N4OS.HI/c23-22(24)28-20-14-26(19-8-4-3-7-18(19)20)12-11-25-21(27)17-10-9-15-5-1-2-6-16(15)13-17;/h1-10,13-14H,11-12H2,(H3,23,24)(H,25,27);1H