N-(4-butyl-2-methyl-phenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C

InChI

InChI=1S/C25H32N4OS/c1-3-4-8-20-11-12-22(19(2)17-20)27-24(31)28-15-13-25(14-16-28)23(30)26-18-29(25)21-9-6-5-7-10-21/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3,(H,26,30)(H,27,31)