2-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]thio]acetamide Formula: C15H19ClN4O4S MolecularWeight: 386.85376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCSCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCSCC(=O)N

InChI

InChI=1S/C15H19ClN4O4S/c16-11-1-2-12(13(9-11)20(23)24)18-4-6-19(7-5-18)15(22)3-8-25-10-14(17)21/h1-2,9H,3-8,10H2,(H2,17,21)