N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C30H35N4O2S+ MolecularWeight: 515.6895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O2S/c1-22(2)21-27(35)32-30(37)31-26-16-10-9-15-25(26)29(36)34-19-17-33(18-20-34)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,22,28H,17-21H2,1-2H3,(H2,31,32,35,37)/p+1