5-chloranyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-naphthamide Formula: C23H18ClF3N4O3S MolecularWeight: 522.92723

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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=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C23H18ClF3N4O3S/c24-18-6-2-3-15-16(18)4-1-5-17(15)21(32)28-22(35)30-11-9-29(10-12-30)19-8-7-14(23(25,26)27)13-20(19)31(33)34/h1-8,13H,9-12H2,(H,28,32,35)