4-naphthalen-2-ylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-naphthalen-2-ylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-naphthylsulfonyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-naphthalenylsulfonyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-naphthalen-2-ylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-naphthylsulfonyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S2/c26-25(27)19-8-6-18(7-9-19)22-21(30)23-11-13-24(14-12-23)31(28,29)20-10-5-16-3-1-2-4-17(16)15-20/h1-10,15H,11-14H2,(H,22,30)