3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c20-19(25)14-6-7-17(16(12-14)23(26)27)28-13-18(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H2,20,25)