S-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamoylamino] 1-benzofuran-2-carbothioate

Systemtic Name: S-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamoylamino] 1-benzofuran-2-carbothioate Openeye Name: S-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamoylamino] benzofuran-2-carbothioate CAS Name: 2-benzofurancarbothioic acid S-[[[4-(4-acetyl-1-piperazinyl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamoylamino] 1-benzofuran-2-carbothioate Traditional Name: benzofuran-2-carbothioic acid S-[[4-(4-acetylpiperazino)phenyl]carbamoylamino] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NSC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NSC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O4S/c1-15(27)25-10-12-26(13-11-25)18-8-6-17(7-9-18)23-22(29)24-31-21(28)20-14-16-4-2-3-5-19(16)30-20/h2-9,14H,10-13H2,1H3,(H2,23,24,29)