[2-nitro-4-(phenylcarbonyl)phenyl] N-(4-methoxyphenyl)carbamodithioate

Systemtic Name: [2-nitro-4-(phenylcarbonyl)phenyl] N-(4-methoxyphenyl)carbamodithioate Openeye Name: (4-benzoyl-2-nitro-phenyl) N-(4-methoxyphenyl)carbamodithioate CAS Name: N-(4-methoxyphenyl)carbamodithioic acid (4-benzoyl-2-nitrophenyl) ester IUPAC Name: (4-benzoyl-2-nitrophenyl) N-(4-methoxyphenyl)carbamodithioate Traditional Name: N-(4-methoxyphenyl)carbamodithioic acid (4-benzoyl-2-nitro-phenyl) ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O4S2/c1-27-17-10-8-16(9-11-17)22-21(28)29-19-12-7-15(13-18(19)23(25)26)20(24)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,28)