N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2-thenoyl)piperazino]acetyl]amino]acetamide Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23BrN4O3S/c1-14-11-15(21)4-5-16(14)23-18(26)12-22-19(27)13-24-6-8-25(9-7-24)20(28)17-3-2-10-29-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,27)(H,23,26)