methyl N'-(3,5-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(N(C)CC2=CC=CC=C2)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(N(C)CC2=CC=CC=C2)SC)C

InChI

InChI=1S/C18H22N2S/c1-14-10-15(2)12-17(11-14)19-18(21-4)20(3)13-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3