N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-(2-methylpropoxy)benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H25N3O2S/c1-13(2)12-22-15-6-4-14(5-7-15)16(21)18-17(23)20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,21,23)/p+1