3-[[8-(2-methoxyethanoyl)-2-(2-methylsulfanylethyl)-3-oxidanylidene-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[8-(2-methoxyethanoyl)-2-(2-methylsulfanylethyl)-3-oxidanylidene-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[8-(2-methoxyacetyl)-2-(2-methylsulfanylethyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzonitrile CAS Name: 3-[[8-(2-methoxy-1-oxoethyl)-2-[2-(methylthio)ethyl]-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzonitrile IUPAC Name: 3-[[8-(2-methoxyacetyl)-2-(2-methylsulfanylethyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzonitrile Traditional Name: 3-[[3-keto-8-(2-methoxyacetyl)-2-[2-(methylthio)ethyl]-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzonitrile Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCC2(CC1)NC(C(=O)N2CC3=CC=CC(=C3)C#N)CCSC

Isomeric SMILES

COCC(=O)N1CCC2(CC1)NC(C(=O)N2CC3=CC=CC(=C3)C#N)CCSC

InChI

InChI=1S/C21H28N4O3S/c1-28-15-19(26)24-9-7-21(8-10-24)23-18(6-11-29-2)20(27)25(21)14-17-5-3-4-16(12-17)13-22/h3-5,12,18,23H,6-11,14-15H2,1-2H3