N-(3-methoxyphenyl)-2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]thio]-N-(3-methoxyphenyl)acetamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S/c1-33-23-11-7-10-22(18-23)28-26(31)20-34-25-13-6-5-12-24(25)27(32)30-16-14-29(15-17-30)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19-20H2,1H3,(H,28,31)/p+1