N,N-diethyl-4-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]piperazine-1-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-4-22(5-2)21(28)24-12-10-23(11-13-24)20(27)16-14-19(26)25(15-16)17-6-8-18(29-3)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3