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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br

InChI

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