N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25ClN4O4S/c1-14(28)26-9-11-27(12-10-26)20-16(23)5-4-6-17(20)24-22(32)25-21(29)15-7-8-18(30-2)19(13-15)31-3/h4-8,13H,9-12H2,1-3H3,(H2,24,25,29,32)