2-pentoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-pentoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-2-pentoxy-benzamide CAS Name: 2-pentoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-2-pentoxybenzamide Traditional Name: 2-amoxy-N-(4-benzylpiperazine-1-carbothioyl)benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-2-3-9-18-29-22-13-8-7-12-21(22)23(28)25-24(30)27-16-14-26(15-17-27)19-20-10-5-4-6-11-20/h4-8,10-13H,2-3,9,14-19H2,1H3,(H,25,28,30)