N-(2-chloranyl-5-nitro-phenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19ClN4O4S2/c22-19-8-6-17(26(27)28)14-20(19)23-21(31)24-9-11-25(12-10-24)32(29,30)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H,23,31)