ethyl 2-[(3E)-2-oxidanylidene-3-[(phenylmethyl)carbamothioylhydrazinylidene]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3E)-2-oxidanylidene-3-[(phenylmethyl)carbamothioylhydrazinylidene]indol-1-yl]ethanoate Openeye Name: ethyl 2-[(3E)-3-(benzylcarbamothioylhydrazono)-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3E)-2-oxo-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3E)-3-(benzylcarbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3E)-3-(benzylthiocarbamoylhydrazono)-2-keto-indolin-1-yl]acetic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NNC(=S)NCC3=CC=CC=C3)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC=CC=C3)/C1=O

InChI

InChI=1S/C20H20N4O3S/c1-2-27-17(25)13-24-16-11-7-6-10-15(16)18(19(24)26)22-23-20(28)21-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H2,21,23,28)/b22-18+