4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide

Systemtic Name: 4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 4-butoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C18H27N3O3S/c1-2-3-14-24-16-6-4-15(5-7-16)17(23)19-18(25)21-10-8-20(9-11-21)12-13-22/h4-7,22H,2-3,8-14H2,1H3,(H,19,23,25)/p+1