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

Systemtic Name: N-(4-ethylphenyl)-1-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(4-ethylphenyl)-1-(3-methyl-1-oxobutyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(4-ethylphenyl)-1-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(4-ethylphenyl)-1-isovaleryl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)CC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-4-17-5-7-18(8-6-17)22-20(26)23-11-9-21(10-12-23)24(13-14-27-21)19(25)15-16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,22,26)