N-[3,5-bis(trifluoromethyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide Formula: C19H15F6N5S2 MolecularWeight: 491.476319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H15F6N5S2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)28-17(31)30-4-2-29(3-5-30)15-14-1-6-32-16(14)27-10-26-15/h1,6-10H,2-5H2,(H,28,31)