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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

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