1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[1-(4-methylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[1-(4-methyl-1-piperazinyl)-4-(methylthio)-1-oxobutan-2-yl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-keto-N-[1-(4-methylpiperazine-1-carbonyl)-3-(methylthio)propyl]pyrrolidine-3-carboxamide Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN4O3S/c1-24-8-10-25(11-9-24)21(29)18(7-12-30-2)23-20(28)15-13-19(27)26(14-15)17-5-3-16(22)4-6-17/h3-6,15,18H,7-14H2,1-2H3,(H,23,28)