N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylbenzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS/c23-18(17-9-5-2-6-10-17)20-19(24)22-13-11-21(12-14-22)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,20,23,24)/p+1