2-[3-(dimethylamino)propylcarbamothioylhydrazinylidene]-2-(4-nitrophenyl)ethanoic acid

Systemtic Name: 2-[3-(dimethylamino)propylcarbamothioylhydrazinylidene]-2-(4-nitrophenyl)ethanoic acid Openeye Name: 2-[3-(dimethylamino)propylcarbamothioylhydrazono]-2-(4-nitrophenyl)acetic acid CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]hydrazinylidene]-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-[3-(dimethylamino)propylcarbamothioylhydrazinylidene]-2-(4-nitrophenyl)acetic acid Traditional Name: 2-[3-(dimethylamino)propylthiocarbamoylhydrazono]-2-(4-nitrophenyl)acetic acid Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NN=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)CCCNC(=S)NN=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H19N5O4S/c1-18(2)9-3-8-15-14(24)17-16-12(13(20)21)10-4-6-11(7-5-10)19(22)23/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H2,15,17,24)