methyl N-(2,6-dimethylphenyl)-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-(2,6-dimethylphenyl)-N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-1-(2,6-dimethylphenyl)-2-methyl-isothiourea CAS Name: N-(2,6-dimethylphenyl)-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-benzyl-1-(2,6-dimethylphenyl)-2-methyl-isothiourea Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=NCC2=CC=CC=C2)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=NCC2=CC=CC=C2)SC

InChI

InChI=1S/C17H20N2S/c1-13-8-7-9-14(2)16(13)19-17(20-3)18-12-15-10-5-4-6-11-15/h4-11H,12H2,1-3H3,(H,18,19)