4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H17BrN4O4S2 MolecularWeight: 485.37528

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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=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O4S2/c18-13-2-1-3-16(12-13)28(25,26)21-10-8-20(9-11-21)17(27)19-14-4-6-15(7-5-14)22(23)24/h1-7,12H,8-11H2,(H,19,27)