5-bromanyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: 5-bromo-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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