N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O4S/c1-15(27)25-10-12-26(13-11-25)18-7-5-17(6-8-18)23-22(31)24-21(28)16-4-9-19(29-2)20(14-16)30-3/h4-9,14H,10-13H2,1-3H3,(H2,23,24,28,31)