N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazino]acetamide Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN4O2S/c1-27-18-7-5-16(6-8-18)23-20(28)25-11-9-24(10-12-25)14-19(26)22-17-4-2-3-15(21)13-17/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,28)