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

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C26H28ClN4OS+ MolecularWeight: 480.04472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C26H27ClN4OS/c1-19-6-2-4-8-23(19)25(32)29-26(33)28-21-10-12-22(13-11-21)31-16-14-30(15-17-31)18-20-7-3-5-9-24(20)27/h2-13H,14-18H2,1H3,(H2,28,29,32,33)/p+1