N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)thiazol-2-yl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)thiazol-2-yl]piperazine-1-carbothioamide Formula: C22H23FN4S2 MolecularWeight: 426.573223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4S2/c1-15-3-4-16(2)19(13-15)24-21(28)26-9-11-27(12-10-26)22-25-20(14-29-22)17-5-7-18(23)8-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)