2-[[2-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[2-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-(3-methoxypropylcarbamothioyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[2-[[(3-methoxypropylamino)-sulfanylidenemethyl]hydrazo]-5-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[2-[N'-(3-methoxypropylthiocarbamoyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid Formula: C18H21N5O7S2 MolecularWeight: 483.51864

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

COCCCNC(=S)NNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H21N5O7S2/c1-30-10-4-9-19-18(31)21-20-15-8-7-12(23(26)27)11-16(15)32(28,29)22-14-6-3-2-5-13(14)17(24)25/h2-3,5-8,11,20,22H,4,9-10H2,1H3,(H,24,25)(H2,19,21,31)