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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

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