N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]coumarilamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4S/c31-24(23-16-18-6-2-3-7-22(18)34-23)26-25(35)29-14-12-27(13-15-29)19-8-9-20(30(32)33)21(17-19)28-10-4-1-5-11-28/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,31,35)