N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-ethoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-ethoxy-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-ethoxy-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-ethoxybenzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-ethoxy-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-2-29-15-6-3-5-14(13-15)19(26)22-20(30)24-11-9-23(10-12-24)18-16(21)7-4-8-17(18)25(27)28/h3-8,13H,2,9-12H2,1H3,(H,22,26,30)