N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C22H23F3N4O4S MolecularWeight: 496.50263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23F3N4O4S/c1-14(2)33-17-5-3-4-15(12-17)20(30)26-21(34)28-10-8-27(9-11-28)18-7-6-16(22(23,24)25)13-19(18)29(31)32/h3-7,12-14H,8-11H2,1-2H3,(H,26,30,34)