methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate

Systemtic Name: methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate Openeye Name: 2-methyl-3-[(1S)-1-phenylethyl]-1-(p-tolyl)isothiourea CAS Name: N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate Traditional Name: 2-methyl-3-[(1S)-1-phenylethyl]-1-(p-tolyl)isothiourea Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NC(C)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=N[C@@H](C)C2=CC=CC=C2)SC

InChI

InChI=1S/C17H20N2S/c1-13-9-11-16(12-10-13)19-17(20-3)18-14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,18,19)/t14-/m0/s1