2-[3-chloranyl-4-(1H-indol-6-ylsulfanyl)phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-chloranyl-4-(1H-indol-6-ylsulfanyl)phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(1H-indol-6-ylsulfanyl)phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-(1H-indol-6-ylthio)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(1H-indol-6-ylsulfanyl)phenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-(1H-indol-6-ylthio)phenyl]prop-2-en-1-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)C=CN4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)C=CN4)Cl

InChI

InChI=1S/C23H22ClN3O2S/c1-15(23(29)27-11-9-26(10-12-27)16(2)28)18-4-6-22(20(24)13-18)30-19-5-3-17-7-8-25-21(17)14-19/h3-8,13-14,25H,1,9-12H2,2H3