4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C21H16ClF3N4O3S2 MolecularWeight: 528.95495

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H16ClF3N4O3S2/c22-17-13-6-5-12(29(31)32)11-16(13)34-18(17)19(30)27-7-9-28(10-8-27)20(33)26-15-4-2-1-3-14(15)21(23,24)25/h1-6,11H,7-10H2,(H,26,33)