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

Systemtic Name: 4-(2-methylbutyl)-N-(3-methylphenyl)-3-oxidanylidene-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: 4-(2-methylbutyl)-N-(m-tolyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: 4-(2-methylbutyl)-N-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: 4-(2-methylbutyl)-N-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: 3-keto-4-(2-methylbutyl)-N-(m-tolyl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C20H30N4OS MolecularWeight: 374.5434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C(=O)CNC12CCN(CC2)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)CN1C(=O)CNC12CCN(CC2)C(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C20H30N4OS/c1-4-15(2)14-24-18(25)13-21-20(24)8-10-23(11-9-20)19(26)22-17-7-5-6-16(3)12-17/h5-7,12,15,21H,4,8-11,13-14H2,1-3H3,(H,22,26)