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

Systemtic Name: 4-hexoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-hexoxy-benzamide CAS Name: 4-hexoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-hexoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-hexoxy-benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S/c1-2-3-4-8-19-30-23-13-11-22(12-14-23)24(29)26-25(31)28-17-15-27(16-18-28)20-21-9-6-5-7-10-21/h5-7,9-14H,2-4,8,15-20H2,1H3,(H,26,29,31)