2-[4-(4-ethylpiperazin-1-yl)carbothioyl-2-methoxy-phenoxy]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(4-ethylpiperazin-1-yl)carbothioyl-2-methoxy-phenoxy]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]-N-(4-fluorophenyl)acetamide Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC

Isomeric SMILES

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H26FN3O3S/c1-3-25-10-12-26(13-11-25)22(30)16-4-9-19(20(14-16)28-2)29-15-21(27)24-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)