N-(4-morpholin-4-ylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H25F3N4O3S2 MolecularWeight: 514.58411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25F3N4O3S2/c23-22(24,25)17-2-1-3-19(16-17)27-8-10-28(11-9-27)21(33)26-18-4-6-20(7-5-18)34(30,31)29-12-14-32-15-13-29/h1-7,16H,8-15H2,(H,26,33)