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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C19H18ClN5O5S/c1-12-2-3-13(10-17(12)25(29)30)18(26)21-19(31)23-8-6-22(7-9-23)16-5-4-14(24(27)28)11-15(16)20/h2-5,10-11H,6-9H2,1H3,(H,21,26,31)