4-[2-[(3Z)-3-(ethylcarbamothioylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3Z)-3-(ethylcarbamothioylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-3-(ethylcarbamothioylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-3-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]-2-oxo-1-pentyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-3-(ethylcarbamothioylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-1-amyl-3-(ethylthiocarbamoylhydrazono)-2-keto-indolin-5-yl]thio]ethyl]benzoic acid Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=S)NCC)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=S)NCC)/C1=O

InChI

InChI=1S/C25H30N4O3S2/c1-3-5-6-14-29-21-12-11-19(34-15-13-17-7-9-18(10-8-17)24(31)32)16-20(21)22(23(29)30)27-28-25(33)26-4-2/h7-12,16H,3-6,13-15H2,1-2H3,(H,31,32)(H2,26,28,33)/b27-22-