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

Systemtic Name: 2-bromanyl-N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-(4-isobutyrylpiperazine-1-carbonyl)-3-(methylthio)propyl]benzamide Formula: C20H28BrN3O3S MolecularWeight: 470.42362

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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=C2Br

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H28BrN3O3S/c1-14(2)19(26)23-9-11-24(12-10-23)20(27)17(8-13-28-3)22-18(25)15-6-4-5-7-16(15)21/h4-7,14,17H,8-13H2,1-3H3,(H,22,25)