N-(4-ethoxyphenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-p-phenetyl-acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27N3O3S/c1-3-27-19-10-6-18(7-11-19)23-21(26)16-28-20-8-4-17(5-9-20)22(29)25-14-12-24(2)13-15-25/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1