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

Systemtic Name: 2-chloranyl-N-[1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C24H29ClFN3O3S MolecularWeight: 494.021763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)F

InChI

InChI=1S/C24H29ClFN3O3S/c1-32-22-8-7-17(15-20(22)26)16-28-10-12-29(13-11-28)24(31)21(9-14-33-2)27-23(30)18-5-3-4-6-19(18)25/h3-8,15,21H,9-14,16H2,1-2H3,(H,27,30)