ethyl 4-[(3E)-3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[(3E)-3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[(1E)-1-(phenylcarbamothioylimino)isoindolin-2-yl]benzoate CAS Name: 4-[(3E)-3-[anilino(sulfanylidene)methyl]imino-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3E)-3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]benzoate Traditional Name: 4-[(1E)-1-(phenylthiocarbamoylimino)isoindolin-2-yl]benzoic acid ethyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N\2CC3=CC=CC=C3/C2=N\C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-2-29-23(28)17-12-14-20(15-13-17)27-16-18-8-6-7-11-21(18)22(27)26-24(30)25-19-9-4-3-5-10-19/h3-15H,2,16H2,1H3,(H,25,30)/b26-22+