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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O4S/c1-28-17-5-3-2-4-14(17)18(25)21-19(29)23-10-8-22(9-11-23)16-7-6-13(24(26)27)12-15(16)20/h2-7,12H,8-11H2,1H3,(H,21,25,29)