N-cyclohexyl-N-methyl-2-[2-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[2-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-2-[[2-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]phenyl]thio]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-cyclohexyl-N-methyl-2-[[2-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]thio]acetamide Formula: C28H38N3O2S+ MolecularWeight: 480.68522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O2S/c1-29(24-12-6-3-7-13-24)27(32)22-34-26-15-9-8-14-25(26)28(33)31-20-18-30(19-21-31)17-16-23-10-4-2-5-11-23/h2,4-5,8-11,14-15,24H,3,6-7,12-13,16-22H2,1H3/p+1