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

Systemtic Name: methyl N-[(2-nitro-5-phenylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-5-phenylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-nitro-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-5-phenylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-nitro-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S2/c1-22-15(19)17-14(23)16-12-9-11(7-8-13(12)18(20)21)24-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19,23)