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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C20H15Cl2FN4O3S2 MolecularWeight: 513.392503

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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(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H15Cl2FN4O3S2/c21-14-9-11(1-4-15(14)23)24-20(31)26-7-5-25(6-8-26)19(28)18-17(22)13-3-2-12(27(29)30)10-16(13)32-18/h1-4,9-10H,5-8H2,(H,24,31)