methyl N-[[2-nitro-5-(phenylsulfinyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-nitro-5-(phenylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-(benzenesulfinyl)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[5-(benzenesulfinyl)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-(benzenesulfinyl)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[5-(benzenesulfinyl)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H13N3O5S2 MolecularWeight: 379.41082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S2/c1-23-15(19)17-14(24)16-12-9-11(7-8-13(12)18(20)21)25(22)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19,24)