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

Systemtic Name: N-(3-cyanophenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3-cyanophenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3-cyanophenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3-cyanophenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3-cyanophenyl)-1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=S)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=S)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N5OS/c22-14-16-5-4-6-17(13-16)24-20(28)25-11-9-21(10-12-25)19(27)23-15-26(21)18-7-2-1-3-8-18/h1-8,13H,9-12,15H2,(H,23,27)(H,24,28)