N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylnaphthalene-2-carboxamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylnaphthalene-2-carboxamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-2-naphthamide Formula: C23H19F3N4O3S MolecularWeight: 488.48217

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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)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H19F3N4O3S/c24-23(25,26)18-7-8-19(20(14-18)30(32)33)28-9-11-29(12-10-28)22(34)27-21(31)17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12H2,(H,27,31,34)