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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-pyrazin-2-ylpiperazino)ethyl]thio]-3-nitro-benzamide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O4S/c18-17(25)12-1-2-14(13(9-12)23(26)27)28-11-16(24)22-7-5-21(6-8-22)15-10-19-3-4-20-15/h1-4,9-10H,5-8,11H2,(H2,18,25)