methyl N-[[2-nitro-4-(2-phenoxyethoxy)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-nitro-4-(2-phenoxyethoxy)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-nitro-4-(2-phenoxyethoxy)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-nitro-4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-nitro-4-(2-phenoxyethoxy)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-nitro-4-(2-phenoxyethoxy)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)OCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)OCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-24-17(21)19-16(27)18-14-8-7-13(11-15(14)20(22)23)26-10-9-25-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,21,27)