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

Systemtic Name: 4-bromanyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromo-benzamide CAS Name: 4-bromo-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromobenzamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-4-bromo-benzamide Formula: C25H25BrN4OS MolecularWeight: 509.4612

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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=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN4OS/c26-21-8-6-20(7-9-21)24(31)28-25(32)27-22-10-12-23(13-11-22)30-16-14-29(15-17-30)18-19-4-2-1-3-5-19/h1-13H,14-18H2,(H2,27,28,31,32)