2-(4-chlorophenyl)sulfanylethyl N'-(3,5-dimethylphenyl)carbamimidothioate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,5-dimethylphenyl)isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-3-(3,5-dimethylphenyl)isothiourea Formula: C17H19ClN2S2 MolecularWeight: 350.92916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(N)SCCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(N)SCCSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H19ClN2S2/c1-12-9-13(2)11-15(10-12)20-17(19)22-8-7-21-16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20)