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

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c30-24(21-9-5-2-6-10-21)27-25(31)26-22-11-13-23(14-12-22)29-17-15-28(16-18-29)19-20-7-3-1-4-8-20/h1-14H,15-19H2,(H2,26,27,30,31)/p+1