methyl N-(3,5-dimethylphenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(3,5-dimethylphenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(3,5-dimethylphenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(3,5-dimethylphenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3,5-dimethylphenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(3,5-dimethylphenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2S/c1-13-10-14(2)12-17(11-13)20-18(21-4)19-15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3,(H,19,20)