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

Systemtic Name: methyl 4-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-29-19(27)16-7-9-17(10-8-16)24-21(30)25-13-11-22(12-14-25)20(28)23-15-26(22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,23,28)(H,24,30)