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

Systemtic Name: O-methyl N-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]carbamothioate Openeye Name: O-methyl N-[(E)-C-phenyl-N-(p-tolylsulfonylmethyl)carbonimidoyl]carbamothioate CAS Name: N-[(E)-(4-methylphenyl)sulfonylmethylimino-phenylmethyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenylcarbonimidoyl]carbamothioate Traditional Name: N-[(E)-C-phenyl-N-(tosylmethyl)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)S(=O)(=O)CN=C(C2=CC=CC=C2)NC(=S)OC

Isomeric SMILES

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

InChI

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