4-bromanyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-2-19(27)26-13-11-25(12-14-26)18-9-7-17(8-10-18)23-21(29)24-20(28)15-3-5-16(22)6-4-15/h3-10H,2,11-14H2,1H3,(H2,23,24,28,29)