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

Systemtic Name: 3-bromanyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])Br

InChI

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