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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-15-7-8-18(17(22)13-15)24-20(28)25-11-9-21(10-12-25)19(27)23-14-26(21)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)