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

Systemtic Name: [1-[2-[(4-methylphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-methyl-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(4-methylphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(4-methylbenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-methyl-benzamide hydroiodide Formula: C19H21IN4OS MolecularWeight: 480.36571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C19H20N4OS.HI/c1-13-6-8-14(9-7-13)18(24)22-10-11-23-12-17(25-19(20)21)15-4-2-3-5-16(15)23;/h2-9,12H,10-11H2,1H3,(H3,20,21)(H,22,24);1H