O-(2-phenoxyethyl) N-(4-chloranyl-3-nitro-phenyl)carbonyl-N-phenyl-carbamothioate

Systemtic Name: O-(2-phenoxyethyl) N-(4-chloranyl-3-nitro-phenyl)carbonyl-N-phenyl-carbamothioate Openeye Name: O-(2-phenoxyethyl) N-(4-chloro-3-nitro-benzoyl)-N-phenyl-carbamothioate CAS Name: N-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-phenylcarbamothioic acid O-(2-phenoxyethyl) ester IUPAC Name: O-(2-phenoxyethyl) N-(4-chloro-3-nitrobenzoyl)-N-phenylcarbamothioate Traditional Name: N-(4-chloro-3-nitro-benzoyl)-N-phenyl-thiocarbamic acid O-(2-phenoxyethyl) ester Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=S)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=S)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H17ClN2O5S/c23-19-12-11-16(15-20(19)25(27)28)21(26)24(17-7-3-1-4-8-17)22(31)30-14-13-29-18-9-5-2-6-10-18/h1-12,15H,13-14H2