N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C31H30N6O6S MolecularWeight: 614.6715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C31H30N6O6S/c38-29(25-20-24(37(40)41)9-10-26(25)35-15-17-42-18-16-35)33-31(44)32-22-5-7-23(8-6-22)34-11-13-36(14-12-34)30(39)28-19-21-3-1-2-4-27(21)43-28/h1-10,19-20H,11-18H2,(H2,32,33,38,44)