N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]coumarilamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-29-15-6-7-16(17(13-15)25(27)28)23-8-10-24(11-9-23)21(31)22-20(26)19-12-14-4-2-3-5-18(14)30-19/h2-7,12-13H,8-11H2,1H3,(H,22,26,31)