2-(4-chlorophenyl)sulfanylethyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-3-(2,6-dimethylphenyl)isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-3-(2,6-dimethylphenyl)isothiourea Formula: C17H19ClN2S2 MolecularWeight: 350.92916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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