3-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C24H29BrN4O3S MolecularWeight: 533.48106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C24H29BrN4O3S/c1-16(2)15-32-21-9-8-17(14-19(21)25)22(30)27-24(33)26-20-7-5-4-6-18(20)23(31)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3,(H2,26,27,30,33)