methyl N-(4-ethanoylphenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(4-ethanoylphenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(4-acetylphenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(4-acetylphenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-acetylphenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(4-acetylphenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)C(=O)C)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)C(=O)C)SC

InChI

InChI=1S/C18H20N2OS/c1-13(15-7-5-4-6-8-15)19-18(22-3)20-17-11-9-16(10-12-17)14(2)21/h4-13H,1-3H3,(H,19,20)