[4-[4-(diethylcarbamothioylsulfanyl)-3-nitro-phenyl]carbonyl-2-nitro-phenyl] N,N-diethylcarbamodithioate

Systemtic Name: [4-[4-(diethylcarbamothioylsulfanyl)-3-nitro-phenyl]carbonyl-2-nitro-phenyl] N,N-diethylcarbamodithioate Openeye Name: [4-[4-(diethylcarbamothioylsulfanyl)-3-nitro-benzoyl]-2-nitro-phenyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [4-[[4-[[diethylamino(sulfanylidene)methyl]thio]-3-nitrophenyl]-oxomethyl]-2-nitrophenyl] ester IUPAC Name: [4-[4-(diethylcarbamothioylsulfanyl)-3-nitrobenzoyl]-2-nitrophenyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [4-[4-(diethylthiocarbamoylthio)-3-nitro-benzoyl]-2-nitro-phenyl] ester Formula: C23H26N4O5S4 MolecularWeight: 566.73634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)SC(=S)N(CC)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)SC(=S)N(CC)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5S4/c1-5-24(6-2)22(33)35-19-11-9-15(13-17(19)26(29)30)21(28)16-10-12-20(18(14-16)27(31)32)36-23(34)25(7-3)8-4/h9-14H,5-8H2,1-4H3