5-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-3-methyl-benzamide Formula: C20H20BrClN4O4S MolecularWeight: 527.8192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C20H20BrClN4O4S/c1-12-9-13(21)10-15(18(12)30-2)19(27)23-20(31)25-7-5-24(6-8-25)17-4-3-14(26(28)29)11-16(17)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,27,31)