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

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C19H17F3N4O3S MolecularWeight: 438.42349

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O3S/c20-19(21,22)14-6-7-15(16(12-14)26(28)29)24-8-10-25(11-9-24)18(30)23-17(27)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,27,30)