4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

Systemtic Name: 4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-1-(4-methylsulfanylphenyl)pyrrolidin-2-one Openeye Name: 4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one CAS Name: 4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]-1-[4-(methylthio)phenyl]-2-pyrrolidinone IUPAC Name: 4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one Traditional Name: 4-(4-isovalerylpiperazine-1-carbonyl)-1-[4-(methylthio)phenyl]-2-pyrrolidone Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H29N3O3S/c1-15(2)12-19(25)22-8-10-23(11-9-22)21(27)16-13-20(26)24(14-16)17-4-6-18(28-3)7-5-17/h4-7,15-16H,8-14H2,1-3H3