5-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide Formula: C19H18BrClN4O4S MolecularWeight: 513.79262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18BrClN4O4S/c1-29-17-5-2-12(20)10-14(17)18(26)22-19(30)24-8-6-23(7-9-24)16-4-3-13(25(27)28)11-15(16)21/h2-5,10-11H,6-9H2,1H3,(H,22,26,30)