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

Systemtic Name: methyl N-[(2-nitro-5-phenoxy-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-5-phenoxy-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-5-phenoxyanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-5-phenoxyphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-5-phenoxy-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-22-15(19)17-14(24)16-12-9-11(7-8-13(12)18(20)21)23-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19,24)