2-[[2-[2-(cyclohexylcarbamothioyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[2-[2-(cyclohexylcarbamothioyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-(cyclohexylcarbamothioyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[2-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-5-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-(cyclohexylcarbamothioyl)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[2-[N'-(cyclohexylthiocarbamoyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid Formula: C20H23N5O6S2 MolecularWeight: 493.55652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N5O6S2/c26-19(27)15-8-4-5-9-16(15)24-33(30,31)18-12-14(25(28)29)10-11-17(18)22-23-20(32)21-13-6-2-1-3-7-13/h4-5,8-13,22,24H,1-3,6-7H2,(H,26,27)(H2,21,23,32)