4,4-dimethyl-6-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-N-phenyl-cyclohexene-1-carbothioamide

Systemtic Name: 4,4-dimethyl-6-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-N-phenyl-cyclohexene-1-carbothioamide Openeye Name: 4,4-dimethyl-6-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-phenyl-cyclohexene-1-carbothioamide CAS Name: 4,4-dimethyl-6-oxo-2-[3-(2-oxo-1-pyrrolidinyl)propylamino]-N-phenyl-1-cyclohexenecarbothioamide IUPAC Name: 4,4-dimethyl-6-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-phenylcyclohexene-1-carbothioamide Traditional Name: 6-keto-2-[3-(2-ketopyrrolidino)propylamino]-4,4-dimethyl-N-phenyl-cyclohexene-1-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCCCN3CCCC3=O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCCCN3CCCC3=O)C

InChI

InChI=1S/C22H29N3O2S/c1-22(2)14-17(23-11-7-13-25-12-6-10-19(25)27)20(18(26)15-22)21(28)24-16-8-4-3-5-9-16/h3-5,8-9,23H,6-7,10-15H2,1-2H3,(H,24,28)