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

Systemtic Name: S-[(2Z)-2-[(4-methylphenyl)amino]-2-(phenylsulfonylimino)ethyl] carbamothioate Openeye Name: S-[(2Z)-2-(benzenesulfonylimino)-2-(4-methylanilino)ethyl] carbamothioate CAS Name: carbamothioic acid S-[(2Z)-2-(benzenesulfonylimino)-2-(4-methylanilino)ethyl] ester IUPAC Name: S-[(2Z)-2-(benzenesulfonylimino)-2-(4-methylanilino)ethyl] carbamothioate Traditional Name: thiocarbamic acid S-[(2Z)-2-besylimino-2-(p-toluidino)ethyl] ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c1-12-7-9-13(10-8-12)18-15(11-23-16(17)20)19-24(21,22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,17,20)(H,18,19)