methyl 3-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(2-chloro-5-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O4S/c1-23-14(20)9-3-2-4-10(7-9)17-15(24)18-13-8-11(19(21)22)5-6-12(13)16/h2-8H,1H3,(H2,17,18,24)