4-tert-butyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide

Systemtic Name: 4-tert-butyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 4-tert-butyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 4-tert-butyl-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 4-tert-butyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-17(2,3)14-7-5-13(6-8-14)15(21)18-16(22)20-11-9-19(4)10-12-20/h5-8H,9-12H2,1-4H3,(H,18,21,22)/p+1