5-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H27BrN4O3S MolecularWeight: 519.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H27BrN4O3S/c1-15(2)31-20-9-8-16(24)14-18(20)21(29)26-23(32)25-19-7-5-4-6-17(19)22(30)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29,32)