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

Systemtic Name: methyl N-[[4-(4-chloranylphenoxy)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(4-chlorophenoxy)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(4-chlorophenoxy)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(4-chlorophenoxy)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(4-chlorophenoxy)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H12ClN3O5S MolecularWeight: 381.79088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O5S/c1-23-15(20)18-14(25)17-12-7-6-11(8-13(12)19(21)22)24-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,17,18,20,25)