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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/CSC(=O)N

InChI

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