5-bromanyl-2-chloranyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C25H24BrClN4OS MolecularWeight: 543.90626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C25H24BrClN4OS/c26-19-6-11-23(27)22(16-19)24(32)29-25(33)28-20-7-9-21(10-8-20)31-14-12-30(13-15-31)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H2,28,29,32,33)