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

Systemtic Name: 3-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-chloro-4-methoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-chloro-4-methoxy-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

Click to see the large picture

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)Cl

Isomeric SMILES

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

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)15-3-8-19(29-2)18(22)13-15/h3-8,13H,9-12H2,1-2H3,(H2,23,24,28,30)