2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholino-ethanone CAS Name: 2-[2-ethoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholino-ethanone Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)N3CCOCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)N3CCOCC3

InChI

InChI=1S/C20H29N3O4S/c1-3-26-18-14-16(20(28)23-8-6-21(2)7-9-23)4-5-17(18)27-15-19(24)22-10-12-25-13-11-22/h4-5,14H,3,6-13,15H2,1-2H3/p+1