5-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloro-2-methoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloro-2-methoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-5-chloro-2-methoxy-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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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(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-14(27)25-9-11-26(12-10-25)17-6-4-16(5-7-17)23-21(30)24-20(28)18-13-15(22)3-8-19(18)29-2/h3-8,13H,9-12H2,1-2H3,(H2,23,24,28,30)