N-(4-cyclohexylpiperazin-4-ium-1-yl)carbothioylbenzamide

Systemtic Name: N-(4-cyclohexylpiperazin-4-ium-1-yl)carbothioylbenzamide Openeye Name: N-(4-cyclohexylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: N-[(4-cyclohexyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-cyclohexylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: N-(4-cyclohexylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3OS/c22-17(15-7-3-1-4-8-15)19-18(23)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,22,23)/p+1