1-(3-methylphenyl)carbonyl-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: 1-(3-methylphenyl)carbonyl-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-methylbenzoyl)-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(3-methylphenyl)-oxomethyl]-N-[4-(methylthio)phenyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-methylbenzoyl)-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-1-m-toluoyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCSC23CCN(CC3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H27N3O2S2/c1-17-4-3-5-18(16-17)21(27)26-14-15-30-23(26)10-12-25(13-11-23)22(28)24-19-6-8-20(29-2)9-7-19/h3-9,16H,10-15H2,1-2H3,(H,24,28)