2,4-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethoxy-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dimethoxy-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-24-10-12-25(13-11-24)18-7-5-4-6-17(18)22-21(29)23-20(26)16-9-8-15(27-2)14-19(16)28-3/h4-9,14H,10-13H2,1-3H3,(H2,22,23,26,29)