methyl N'-(1-phenylethyl)-N-[(1S)-1-phenylethyl]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(1-phenylethyl)-N-[(1S)-1-phenylethyl]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-(1-phenylethyl)-1-[(1S)-1-phenylethyl]isothiourea hydroiodide CAS Name: N'-(1-phenylethyl)-N-[(1S)-1-phenylethyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(1-phenylethyl)-N-[(1S)-1-phenylethyl]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-(1-phenylethyl)-1-[(1S)-1-phenylethyl]isothiourea hydroiodide Formula: C18H23IN2S MolecularWeight: 426.35809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=NC(C)C2=CC=CC=C2)SC.I

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=NC(C)C2=CC=CC=C2)SC.I

InChI

InChI=1S/C18H22N2S.HI/c1-14(16-10-6-4-7-11-16)19-18(21-3)20-15(2)17-12-8-5-9-13-17;/h4-15H,1-3H3,(H,19,20);1H/t14-,15?;/m0./s1