4-methanethioyl-5-[1-(2-phenoxyethanoylamino)azetidin-2-yl]-2-piperazin-1-yl-1-sulfanylidene-4H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 4-methanethioyl-5-[1-(2-phenoxyethanoylamino)azetidin-2-yl]-2-piperazin-1-yl-1-sulfanylidene-4H-quinolin-1-ium-3-carboxylic acid Openeye Name: 4-methanethioyl-5-[1-[(2-phenoxyacetyl)amino]azetidin-2-yl]-2-piperazin-1-yl-1-thioxo-4H-quinolin-1-ium-3-carboxylic acid CAS Name: 4-methanethioyl-5-[1-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl]-2-(1-piperazinyl)-1-sulfanylidene-4H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 4-methanethioyl-5-[1-[(2-phenoxyacetyl)amino]azetidin-2-yl]-2-piperazin-1-yl-1-sulfanylidene-4H-quinolin-1-ium-3-carboxylic acid Traditional Name: 5-[1-[(2-phenoxyacetyl)amino]azetidin-2-yl]-2-piperazino-4-thioformyl-1-thioxo-4H-quinolin-1-ium-3-carboxylic acid Formula: C26H28N5O4S2+ MolecularWeight: 538.66162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C2=C3C(C(=C([N+](=S)C3=CC=C2)N4CCNCC4)C(=O)O)C=S)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(C1C2=C3C(C(=C([N+](=S)C3=CC=C2)N4CCNCC4)C(=O)O)C=S)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O4S2/c32-22(15-35-17-5-2-1-3-6-17)28-30-12-9-20(30)18-7-4-8-21-23(18)19(16-36)24(26(33)34)25(31(21)37)29-13-10-27-11-14-29/h1-8,16,19-20,27H,9-15H2,(H-,28,32,33,34)/p+1