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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-3-nitro-benzamide Formula: C20H20ClN5O6S MolecularWeight: 493.9207

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O6S/c1-2-32-18-6-3-13(11-17(18)26(30)31)19(27)22-20(33)24-9-7-23(8-10-24)16-5-4-14(25(28)29)12-15(16)21/h3-6,11-12H,2,7-10H2,1H3,(H,22,27,33)