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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(4-chloro-2-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(4-chloro-2-methylphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(4-chloro-2-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=C(C=CC(=C1)Cl)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

Isomeric SMILES

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

InChI

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