S-[2-(4-chlorophenyl)sulfonylimino-2-[(3-methylphenyl)amino]ethyl] carbamothioate

Systemtic Name: S-[2-(4-chlorophenyl)sulfonylimino-2-[(3-methylphenyl)amino]ethyl] carbamothioate Openeye Name: S-[2-(4-chlorophenyl)sulfonylimino-2-(3-methylanilino)ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-(4-chlorophenyl)sulfonylimino-2-(3-methylanilino)ethyl] ester IUPAC Name: S-[2-(4-chlorophenyl)sulfonylimino-2-(3-methylanilino)ethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-(4-chlorophenyl)sulfonylimino-2-(m-toluidino)ethyl] ester Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)CSC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)CSC(=O)N

InChI

InChI=1S/C16H16ClN3O3S2/c1-11-3-2-4-13(9-11)19-15(10-24-16(18)21)20-25(22,23)14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H2,18,21)(H,19,20)