N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-pentoxy-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-pentoxy-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-pentoxy-benzamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H27N3O2S/c1-3-4-5-14-23-16-8-6-15(7-9-16)17(22)19-18(24)21-12-10-20(2)11-13-21/h6-9H,3-5,10-14H2,1-2H3,(H,19,22,24)/p+1