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

Systemtic Name: [1-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-3,5-dimethyl-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-3,5-dimethyl-benzamide hydroiodide Formula: C20H23IN4OS MolecularWeight: 494.39229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS.HI/c1-13-9-14(2)11-15(10-13)19(25)23-7-8-24-12-18(26-20(21)22)16-5-3-4-6-17(16)24;/h3-6,9-12H,7-8H2,1-2H3,(H3,21,22)(H,23,25);1H