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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C21H18ClFN4O3S2 MolecularWeight: 492.974023

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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)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18ClFN4O3S2/c22-18-16-6-5-15(27(29)30)11-17(16)32-19(18)20(28)25-7-9-26(10-8-25)21(31)24-12-13-1-3-14(23)4-2-13/h1-6,11H,7-10,12H2,(H,24,31)