2-bromanyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C23H21BrN4O2S2 MolecularWeight: 529.47244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H21BrN4O2S2/c24-19-5-2-1-4-18(19)21(29)26-23(31)25-16-7-9-17(10-8-16)27-11-13-28(14-12-27)22(30)20-6-3-15-32-20/h1-10,15H,11-14H2,(H2,25,26,29,31)