S-(4-methoxyphenyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-(4-methoxyphenyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate Openeye Name: S-(4-methoxyphenyl) N-(2-chloro-5-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-5-nitrophenyl)carbamothioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-5-nitro-phenyl)thiocarbamic acid S-(4-methoxyphenyl) ester Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)SC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4S/c1-21-10-3-5-11(6-4-10)22-14(18)16-13-8-9(17(19)20)2-7-12(13)15/h2-8H,1H3,(H,16,18)