N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]-2-methyl-benzamide Formula: C30H36N3O2S+ MolecularWeight: 502.69074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2S/c1-23-11-9-10-16-26(23)29(34)31-27(17-22-36-2)30(35)33-20-18-32(19-21-33)28(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-16,27-28H,17-22H2,1-2H3,(H,31,34)/p+1/t27-/m0/s1