O-methyl N-[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioate

Systemtic Name: O-methyl N-[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioate Openeye Name: O-methyl N-[(E)-N-(benzenesulfonylmethyl)-C-(p-tolyl)carbonimidoyl]carbamothioate CAS Name: N-[(E)-benzenesulfonylmethylimino-(4-methylphenyl)methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[(E)-N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]carbamothioate Traditional Name: N-[(E)-N-(besylmethyl)-C-(p-tolyl)carbonimidoyl]thiocarbamic acid O-methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/NC(=S)OC

InChI

InChI=1S/C17H18N2O3S2/c1-13-8-10-14(11-9-13)16(19-17(23)22-2)18-12-24(20,21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,18,19,23)