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

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c1-13-2-4-14(5-3-13)18(25)21-19(28)23-10-8-22(9-11-23)16-7-6-15(20)12-17(16)24(26)27/h2-7,12H,8-11H2,1H3,(H,21,25,28)