2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]benzoic acid Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c24-17(21-19(29)20-14-6-2-1-5-13(14)18(25)26)12-7-8-15(16(11-12)23(27)28)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H,25,26)(H2,20,21,24,29)