N-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: 1-keto-4-phenyl-N-piperonyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3S/c27-20-22(26(14-24-20)17-4-2-1-3-5-17)8-10-25(11-9-22)21(30)23-13-16-6-7-18-19(12-16)29-15-28-18/h1-7,12H,8-11,13-15H2,(H,23,30)(H,24,27)