(4,5-dimethoxy-2-nitro-phenyl)methyl N-[(2-phenylphenyl)carbamothioylamino]carbamate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[(2-phenylphenyl)carbamothioylamino]carbamate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[(2-phenylphenyl)carbamothioylamino]carbamate CAS Name: N-[[(2-phenylanilino)-sulfanylidenemethyl]amino]carbamic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl N-[(2-phenylphenyl)carbamothioylamino]carbamate Traditional Name: N-[(2-phenylphenyl)thiocarbamoylamino]carbamic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H22N4O6S/c1-31-20-12-16(19(27(29)30)13-21(20)32-2)14-33-23(28)26-25-22(34)24-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,26,28)(H2,24,25,34)