2-methoxy-N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-methoxy-N-[1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-(4-isobutyrylpiperazine-1-carbonyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H31N3O4S/c1-15(2)20(26)23-10-12-24(13-11-23)21(27)17(9-14-29-4)22-19(25)16-7-5-6-8-18(16)28-3/h5-8,15,17H,9-14H2,1-4H3,(H,22,25)