3,4,5-trimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H28N4O4S/c1-25-9-11-26(12-10-25)17-8-6-5-7-16(17)23-22(31)24-21(27)15-13-18(28-2)20(30-4)19(14-15)29-3/h5-8,13-14H,9-12H2,1-4H3,(H2,23,24,27,31)