methyl N-[[2-[(2,4,6-trinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[(2,4,6-trinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2,4,6-trinitrophenyl)methyleneamino]phenyl]carbamothioyl]carbamate CAS Name: N-[sulfanylidene-[2-[(2,4,6-trinitrophenyl)methylideneamino]anilino]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2,4,6-trinitrophenyl)methylideneamino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[(2,4,6-trinitrobenzylidene)amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H12N6O8S MolecularWeight: 448.36688

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O8S/c1-30-16(23)19-15(31)18-12-5-3-2-4-11(12)17-8-10-13(21(26)27)6-9(20(24)25)7-14(10)22(28)29/h2-8H,1H3,(H2,18,19,23,31)