7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=O

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)15-2-1-3-16(13-15)26-7-9-27(10-8-26)20(29)14-4-5-18-17(12-14)25-19(28)6-11-30-18/h1-5,12-13H,6-11H2,(H,25,28)