methyl N-[[2-[(2,4-dinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[(2,4-dinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2,4-dinitrophenyl)methyleneamino]phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[(2,4-dinitrophenyl)methylideneamino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2,4-dinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[(2,4-dinitrobenzylidene)amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC=CC=C1N=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=CC=CC=C1N=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-27-16(22)19-15(28)18-13-5-3-2-4-12(13)17-9-10-6-7-11(20(23)24)8-14(10)21(25)26/h2-9H,1H3,(H2,18,19,22,28)