N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: N-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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