N-(furan-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C17H17F3N4O3S MolecularWeight: 414.40209

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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(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H17F3N4O3S/c18-17(19,20)12-3-4-14(15(10-12)24(25)26)22-5-7-23(8-6-22)16(28)21-11-13-2-1-9-27-13/h1-4,9-10H,5-8,11H2,(H,21,28)