[1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]isothiourea hydroiodide CAS Name: carbamimidothioic acid [1-[(2,5-dimethylphenyl)methyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: 2-[1-(2,5-dimethylbenzyl)indol-3-yl]isothiourea hydroiodide Formula: C18H20IN3S MolecularWeight: 437.34097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S.HI/c1-12-7-8-13(2)14(9-12)10-21-11-17(22-18(19)20)15-5-3-4-6-16(15)21;/h3-9,11H,10H2,1-2H3,(H3,19,20);1H