N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-nosyl-piperazine-1-carbothioamide Formula: C17H16BrClN4O4S2 MolecularWeight: 519.82034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClN4O4S2/c18-12-1-6-16(15(19)11-12)20-17(28)21-7-9-22(10-8-21)29(26,27)14-4-2-13(3-5-14)23(24)25/h1-6,11H,7-10H2,(H,20,28)