ethyl 4-[[9-(4-methylphenyl)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-(4-methylphenyl)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoate Openeye Name: ethyl 4-[[9-(p-tolyl)-8-thioxo-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoate CAS Name: 4-[[9-(4-methylphenyl)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-(4-methylphenyl)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoate Traditional Name: 4-[[9-(p-tolyl)-8-thioxo-7,9-diazaspiro[4.4]non-6-en-6-yl]amino]benzoic acid ethyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=S)N(C23CCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=S)N(C23CCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H25N3O2S/c1-3-28-20(27)17-8-10-18(11-9-17)24-21-23(14-4-5-15-23)26(22(29)25-21)19-12-6-16(2)7-13-19/h6-13H,3-5,14-15H2,1-2H3,(H,24,25,29)