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

Systemtic Name: methyl 4-[2-[(3Z)-1-butyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Openeye Name: methyl 4-[2-[(3Z)-1-butyl-2-oxo-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoate CAS Name: 4-[2-[[(3Z)-3-[[anilino(oxo)methyl]hydrazinylidene]-1-butyl-2-oxo-5-indolyl]thio]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3Z)-1-butyl-2-oxo-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Traditional Name: 4-[2-[[(3Z)-1-butyl-2-keto-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid methyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)OC)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCN1C2=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/C29H30N4O4S/c1-3-4-17-33-25-15-14-23(38-18-16-20-10-12-21(13-11-20)28(35)37-2)19-24(25)26(27(33)34)31-32-29(36)30-22-8-6-5-7-9-22/h5-15,19H,3-4,16-18H2,1-2H3,(H2,30,32,36)/b31-26-