[1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]benzamide hydroiodide CAS Name: carbamimidothioic acid [1-(2-benzamidoethyl)-3-indolyl] ester hydroiodide IUPAC Name: [1-(2-benzamidoethyl)indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]benzamide hydroiodide Formula: C18H19IN4OS MolecularWeight: 466.33913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C18H18N4OS.HI/c19-18(20)24-16-12-22(15-9-5-4-8-14(15)16)11-10-21-17(23)13-6-2-1-3-7-13;/h1-9,12H,10-11H2,(H3,19,20)(H,21,23);1H