N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]coumarilamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O4S/c25-19(18-13-14-3-1-2-4-17(14)28-18)21-20(29)23-11-9-22(10-12-23)15-5-7-16(8-6-15)24(26)27/h1-8,13H,9-12H2,(H,21,25,29)