5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

Systemtic Name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate Openeye Name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate CAS Name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; N,N-diethylcarbamodithioic acid [[diethylamino(sulfanylidene)methyl]thio] ester IUPAC Name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate Traditional Name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one; N,N-diethylcarbamodithioic acid (diethylthiocarbamoylthio) ester Formula: C25H30ClN5O3S4 MolecularWeight: 612.2504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SSC(=S)N(CC)CC.C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)C(=S)SSC(=S)N(CC)CC.C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H10ClN3O3.C10H20N2S4/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15;1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h1-7H,8H2,(H,18,20);5-8H2,1-4H3