3,4,5-triethoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4,5-triethoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4,5-triethoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C25H32N4O7S MolecularWeight: 532.60918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O7S/c1-5-34-21-14-17(15-22(35-6-2)23(21)36-7-3)24(30)26-25(37)28-12-10-27(11-13-28)19-9-8-18(33-4)16-20(19)29(31)32/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,26,30,37)