4-butan-2-yl-N-(3-methylphenyl)-3-oxidanylidene-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: 4-butan-2-yl-N-(3-methylphenyl)-3-oxidanylidene-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: 2-benzyl-N-(m-tolyl)-3-oxo-4-sec-butyl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: 4-butan-2-yl-N-(3-methylphenyl)-3-oxo-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: 2-benzyl-4-butan-2-yl-N-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: 2-benzyl-3-keto-N-(m-tolyl)-4-sec-butyl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(NC12CCN(CC2)C(=S)NC3=CC=CC(=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)N1C(=O)C(NC12CCN(CC2)C(=S)NC3=CC=CC(=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4OS/c1-4-20(3)30-24(31)23(18-21-10-6-5-7-11-21)28-26(30)13-15-29(16-14-26)25(32)27-22-12-8-9-19(2)17-22/h5-12,17,20,23,28H,4,13-16,18H2,1-3H3,(H,27,32)