N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C24H27FN4O3S MolecularWeight: 470.559583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C24H27FN4O3S/c1-32-22-9-4-3-6-17(22)23(30)27-20(10-15-33-2)24(31)29-13-11-28(12-14-29)21-8-5-7-19(25)18(21)16-26/h3-9,20H,10-15H2,1-2H3,(H,27,30)