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

Systemtic Name: 7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H19F3N4O4S MolecularWeight: 480.46017

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C21H19F3N4O4S/c22-21(23,24)14-2-3-16(17(12-14)28(31)32)26-6-8-27(9-7-26)20(30)13-1-4-18-15(11-13)25-19(29)5-10-33-18/h1-4,11-12H,5-10H2,(H,25,29)