2-(4-bromanylphenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O4S/c20-14-1-7-17(8-2-14)28-13-18(25)21-19(29)23-11-9-22(10-12-23)15-3-5-16(6-4-15)24(26)27/h1-8H,9-13H2,(H,21,25,29)