N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C20H18F3N5O3S MolecularWeight: 465.44883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18F3N5O3S/c21-20(22,23)13-5-6-15(16(11-13)28(30)31)26-7-9-27(10-8-26)19(29)24-12-18-25-14-3-1-2-4-17(14)32-18/h1-6,11H,7-10,12H2,(H,24,29)