[1-(phenylmethyl)indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-(phenylmethyl)indol-3-yl] carbamimidothioate hydroiodide Openeye Name: 2-(1-benzylindol-3-yl)isothiourea hydroiodide CAS Name: carbamimidothioic acid [1-(phenylmethyl)-3-indolyl] ester hydroiodide IUPAC Name: (1-benzylindol-3-yl) carbamimidothioate hydroiodide Traditional Name: 2-(1-benzylindol-3-yl)isothiourea hydroiodide Formula: C16H16IN3S MolecularWeight: 409.28781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C16H15N3S.HI/c17-16(18)20-15-11-19(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15;/h1-9,11H,10H2,(H3,17,18);1H