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

Systemtic Name: N-(3-methoxyphenyl)-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3-methoxyphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3-methoxyphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3-methoxyphenyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Traditional Name: 1-keto-N-(3-methoxyphenyl)-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbothioamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-27-18-9-5-6-16(14-18)23-20(28)24-12-10-21(11-13-24)19(26)22-15-25(21)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,22,26)(H,23,28)