(4-chlorophenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-chlorophenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(4-chlorophenyl)methyl]-3-(3,5-dimethylphenyl)isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-(4-chlorobenzyl)-3-(3,5-dimethylphenyl)isothiourea Formula: C16H17ClN2S MolecularWeight: 304.83758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(N)SCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(N)SCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H17ClN2S/c1-11-7-12(2)9-15(8-11)19-16(18)20-10-13-3-5-14(17)6-4-13/h3-9H,10H2,1-2H3,(H2,18,19)