[1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: 2-[1-(m-tolylmethyl)indol-3-yl]isothiourea hydroiodide CAS Name: carbamimidothioic acid [1-[(3-methylphenyl)methyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: 2-[1-(3-methylbenzyl)indol-3-yl]isothiourea hydroiodide Formula: C17H18IN3S MolecularWeight: 423.31439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C17H17N3S.HI/c1-12-5-4-6-13(9-12)10-20-11-16(21-17(18)19)14-7-2-3-8-15(14)20;/h2-9,11H,10H2,1H3,(H3,18,19);1H