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

Systemtic Name: [1-[2-[(3,4-dimethylphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-3,4-dimethyl-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(3,4-dimethylbenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-3,4-dimethyl-benzamide hydroiodide Formula: C20H23IN4OS MolecularWeight: 494.39229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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