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

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylbutanamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butanamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]butanamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butanamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butyramide Formula: C16H19F3N4O3S MolecularWeight: 404.40727

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H19F3N4O3S/c1-2-3-14(24)20-15(27)22-8-6-21(7-9-22)12-5-4-11(16(17,18)19)10-13(12)23(25)26/h4-5,10H,2-3,6-9H2,1H3,(H,20,24,27)