1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[6-(3-ketopiperazino)-3-pyridyl]-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H23N5O3S/c1-30-17-5-3-16(4-6-17)26-12-14(10-20(26)28)21(29)24-15-2-7-18(23-11-15)25-9-8-22-19(27)13-25/h2-7,11,14H,8-10,12-13H2,1H3,(H,22,27)(H,24,29)