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

Systemtic Name: 1-(3-methylbutanoyl)-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-methylbutanoyl)-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-(3-methyl-1-oxobutyl)-N-[4-(methylthio)phenyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-methylbutanoyl)-N-(4-methylsulfanylphenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-isovaleryl-N-[4-(methylthio)phenyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCSC12CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)CC(=O)N1CCSC12CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H29N3O2S2/c1-15(2)14-18(24)23-12-13-27-20(23)8-10-22(11-9-20)19(25)21-16-4-6-17(26-3)7-5-16/h4-7,15H,8-14H2,1-3H3,(H,21,25)