methyl 4-[2-[(3E)-1-heptyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate

Systemtic Name: methyl 4-[2-[(3E)-1-heptyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Openeye Name: methyl 4-[2-[(3E)-1-heptyl-2-oxo-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoate CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-1-heptyl-2-oxo-5-indolyl]thio]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3E)-1-heptyl-2-oxo-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Traditional Name: 4-[2-[[(3E)-1-heptyl-2-keto-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid methyl ester Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)OC)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)OC)/C(=N\NC(=O)NC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C32H36N4O4S/c1-3-4-5-6-10-20-36-28-18-17-26(41-21-19-23-13-15-24(16-14-23)31(38)40-2)22-27(28)29(30(36)37)34-35-32(39)33-25-11-8-7-9-12-25/h7-9,11-18,22H,3-6,10,19-21H2,1-2H3,(H2,33,35,39)/b34-29+