3-bromanyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromo-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromobenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-bromo-benzamide Formula: C25H23BrN4O2S MolecularWeight: 523.44472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23BrN4O2S/c26-20-10-6-9-19(17-20)23(31)28-25(33)27-21-11-4-5-12-22(21)29-13-15-30(16-14-29)24(32)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H2,27,28,31,33)