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

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-phenyl-ethanamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-phenyl-acetamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-phenylacetamide Traditional Name: N-[4-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)CC3=CC=CC=C3

InChI

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