O-cyclohexyl N-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamothioate

Systemtic Name: O-cyclohexyl N-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamothioate Openeye Name: O-cyclohexyl N-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]carbamothioate CAS Name: N-[(E)-benzenesulfonylimino(phenyl)methyl]carbamothioic acid O-cyclohexyl ester IUPAC Name: O-cyclohexyl N-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamothioate Traditional Name: N-[(E)-N-besyl-C-phenyl-carbonimidoyl]thiocarbamic acid O-cyclohexyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=S)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=S)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c23-27(24,18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)21-20(26)25-17-12-6-2-7-13-17/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2,(H,21,22,26)