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

Systemtic Name: 2-[2-ethoxy-4-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-ethoxy-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]acetamide CAS Name: 2-[2-ethoxy-4-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-ethoxy-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]acetamide Traditional Name: N-benzyl-2-[2-ethoxy-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]acetamide Formula: C28H30FN3O3S MolecularWeight: 507.619503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O3S/c1-2-34-26-18-22(8-13-25(26)35-20-27(33)30-19-21-6-4-3-5-7-21)28(36)32-16-14-31(15-17-32)24-11-9-23(29)10-12-24/h3-13,18H,2,14-17,19-20H2,1H3,(H,30,33)