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

Systemtic Name: 3-chloranyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: 3-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C19H18Cl2N4O3S MolecularWeight: 453.34222

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N4O3S/c1-12-2-3-13(10-15(12)20)18(26)22-19(29)24-8-6-23(7-9-24)17-5-4-14(25(27)28)11-16(17)21/h2-5,10-11H,6-9H2,1H3,(H,22,26,29)