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

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C28H32ClN4OS+ MolecularWeight: 508.09788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C28H31ClN4OS/c1-20(2)21-7-9-22(10-8-21)27(34)31-28(35)30-24-11-13-25(14-12-24)33-17-15-32(16-18-33)19-23-5-3-4-6-26(23)29/h3-14,20H,15-19H2,1-2H3,(H2,30,31,34,35)/p+1