3,4,5-trimethoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4,5-trimethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-29-17-12-14(13-18(30-2)19(17)31-3)20(26)22-21(32)24-10-8-23(9-11-24)15-4-6-16(7-5-15)25(27)28/h4-7,12-13H,8-11H2,1-3H3,(H,22,26,32)