S-phenyl N-[(2R)-5-chloranyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamothioate

Systemtic Name: S-phenyl N-[(2R)-5-chloranyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamothioate Openeye Name: S-phenyl N-[(2R)-5-chloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamothioate CAS Name: N-[(2R)-5-chloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamothioic acid S-phenyl ester IUPAC Name: S-phenyl N-[(2R)-5-chloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamothioate Traditional Name: N-[(2R)-5-chloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]thiocarbamic acid S-phenyl ester Formula: C15H9Cl4NO3S MolecularWeight: 425.11386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)N[C@@]2(OC3=C(O2)C=C(C=C3)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C15H9Cl4NO3S/c16-9-6-7-11-12(8-9)23-15(22-11,14(17,18)19)20-13(21)24-10-4-2-1-3-5-10/h1-8H,(H,20,21)/t15-/m1/s1