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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C29H33N4O2S+ MolecularWeight: 501.66292

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N4O2S/c1-21(2)27(34)31-29(36)30-25-16-10-9-15-24(25)28(35)33-19-17-32(18-20-33)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,26H,17-20H2,1-2H3,(H2,30,31,34,36)/p+1