N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2,6-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=C(C=CC=C3OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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