2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(p-phenetylthiocarbamoyl)piperazino]acetamide Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2S/c1-2-28-19-9-7-18(8-10-19)24-21(29)26-13-11-25(12-14-26)15-20(27)23-17-5-3-16(22)4-6-17/h3-10H,2,11-15H2,1H3,(H,23,27)(H,24,29)