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

Systemtic Name: [1-[2-[(4-nitrophenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-nitro-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(4-nitrophenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(4-nitrobenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-nitro-benzamide hydroiodide Formula: C18H18IN5O3S MolecularWeight: 511.33669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=N)N.I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=N)N.I

InChI

InChI=1S/C18H17N5O3S.HI/c19-18(20)27-16-11-22(15-4-2-1-3-14(15)16)10-9-21-17(24)12-5-7-13(8-6-12)23(25)26;/h1-8,11H,9-10H2,(H3,19,20)(H,21,24);1H