3-bromanyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C21H22BrClN4O3S MolecularWeight: 525.84638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H22BrClN4O3S/c1-13(28)26-8-10-27(11-9-26)19-16(23)4-3-5-17(19)24-21(31)25-20(29)14-6-7-18(30-2)15(22)12-14/h3-7,12H,8-11H2,1-2H3,(H2,24,25,29,31)