S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioate

Systemtic Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioate Openeye Name: S-[(4-phenylthiazol-2-yl)amino] 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioate CAS Name: 4-[bis(4-fluorophenyl)methyl]-1-piperazinecarbothioic acid S-[(4-phenyl-2-thiazolyl)amino] ester IUPAC Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioate Traditional Name: 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioic acid S-[(4-phenylthiazol-2-yl)amino] ester Formula: C27H24F2N4OS2 MolecularWeight: 522.632466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)SNC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)SNC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H24F2N4OS2/c28-22-10-6-20(7-11-22)25(21-8-12-23(29)13-9-21)32-14-16-33(17-15-32)27(34)36-31-26-30-24(18-35-26)19-4-2-1-3-5-19/h1-13,18,25H,14-17H2,(H,30,31)