4-[3-[(3Z)-2-oxidanylidene-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylpropyl]benzoic acid

Systemtic Name: 4-[3-[(3Z)-2-oxidanylidene-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3Z)-2-oxo-1-pentyl-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3Z)-2-oxo-3-[[oxo-(2-thiazolylamino)methyl]hydrazinylidene]-1-pentyl-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3Z)-2-oxo-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3Z)-1-amyl-2-keto-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]thio]propyl]benzoic acid Formula: C27H29N5O4S2 MolecularWeight: 551.68026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=NC=CS4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=O)NC4=NC=CS4)/C1=O

InChI

InChI=1S/C27H29N5O4S2/c1-2-3-4-14-32-22-12-11-20(37-15-5-6-18-7-9-19(10-8-18)25(34)35)17-21(22)23(24(32)33)30-31-26(36)29-27-28-13-16-38-27/h7-13,16-17H,2-6,14-15H2,1H3,(H,34,35)(H2,28,29,31,36)/b30-23-