2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: 2-[2-ethoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-benzyl-2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-3-28-21-15-19(23(30)26-13-11-25(2)12-14-26)9-10-20(21)29-17-22(27)24-16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)/p+1