N-(2-chloranyl-5-nitro-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-furoyl)piperazine-1-carbothioamide Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c17-12-4-3-11(21(23)24)10-13(12)18-16(26)20-7-5-19(6-8-20)15(22)14-2-1-9-25-14/h1-4,9-10H,5-8H2,(H,18,26)