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

Systemtic Name: [1-[2-[(4-methoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-methoxy-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(4-methoxyphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(4-methoxybenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-methoxy-benzamide hydroiodide Formula: C19H21IN4O2S MolecularWeight: 496.36511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C19H20N4O2S.HI/c1-25-14-8-6-13(7-9-14)18(24)22-10-11-23-12-17(26-19(20)21)15-4-2-3-5-16(15)23;/h2-9,12H,10-11H2,1H3,(H3,20,21)(H,22,24);1H