N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C16H21F3N4O3S MolecularWeight: 406.42315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N4O3S/c1-26-10-2-5-20-15(27)22-8-6-21(7-9-22)13-4-3-12(16(17,18)19)11-14(13)23(24)25/h3-4,11H,2,5-10H2,1H3,(H,20,27)