N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]benzamide Formula: C25H26ClN4OS+ MolecularWeight: 466.01814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4OS/c26-23-9-5-4-8-20(23)18-29-14-16-30(17-15-29)22-12-10-21(11-13-22)27-25(32)28-24(31)19-6-2-1-3-7-19/h1-13H,14-18H2,(H2,27,28,31,32)/p+1