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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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