2-[2-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-benzylpiperazine-1-carbothioyl)-2-ethoxy-phenoxy]acetamide CAS Name: 2-[2-ethoxy-4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-benzylpiperazine-1-carbothioyl)-2-ethoxyphenoxy]acetamide Traditional Name: N-benzyl-2-[4-(4-benzylpiperazine-1-carbothioyl)-2-ethoxy-phenoxy]acetamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O3S/c1-2-34-27-19-25(13-14-26(27)35-22-28(33)30-20-23-9-5-3-6-10-23)29(36)32-17-15-31(16-18-32)21-24-11-7-4-8-12-24/h3-14,19H,2,15-18,20-22H2,1H3,(H,30,33)