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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H16BrClN4O2S MolecularWeight: 455.75654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H16BrClN4O2S/c18-12-1-6-16(15(19)11-12)20-17(26)22-9-7-21(8-10-22)13-2-4-14(5-3-13)23(24)25/h1-6,11H,7-10H2,(H,20,26)