ethyl 4-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioyl)amino]benzoate CAS Name: 4-[[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioyl)amino]benzoate Traditional Name: 4-[(1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioyl)amino]benzoic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-2-30-20(28)17-8-10-18(11-9-17)25-22(31)26-14-12-23(13-15-26)21(29)24-16-27(23)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,24,29)(H,25,31)