N-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)thiazol-2-yl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Traditional Name: 4-[4-(4-fluorophenyl)thiazol-2-yl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C22H23FN4OS2 MolecularWeight: 442.572623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS2/c1-2-28-19-9-7-18(8-10-19)24-21(29)26-11-13-27(14-12-26)22-25-20(15-30-22)16-3-5-17(23)6-4-16/h3-10,15H,2,11-14H2,1H3,(H,24,29)