(2,5-dimethylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NC2=CC=C(C=C2)Cl)N

InChI

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