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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN4O3S/c20-16-13-15(24(26)27)6-7-17(16)22-8-10-23(11-9-22)19(28)21-18(25)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,21,25,28)