N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C30H35N4O2S+ MolecularWeight: 515.6895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H34N4O2S/c1-30(2,3)28(36)32-29(37)31-25-17-11-10-16-24(25)27(35)34-20-18-33(19-21-34)26(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,26H,18-21H2,1-3H3,(H2,31,32,36,37)/p+1