N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-4-propoxy-benzamide

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-4-propoxy-benzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-propoxy-benzamide CAS Name: N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-propoxybenzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-propoxy-benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-16-27-20-10-8-19(9-11-20)21(26)23-22(28)25-14-12-24(13-15-25)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26,28)/p+1