2-[4-(3H-1,2-benzodioxol-5-ylsulfanyl)-3-chloranyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(3H-1,2-benzodioxol-5-ylsulfanyl)-3-chloranyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3H-1,2-benzodioxol-5-ylsulfanyl)-3-chloro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-(3H-1,2-benzodioxol-5-ylthio)-3-chlorophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3H-1,2-benzodioxol-5-ylsulfanyl)-3-chlorophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-(3H-1,2-benzodioxol-5-ylthio)-3-chloro-phenyl]prop-2-en-1-one Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OOC4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OOC4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-14(22(27)25-9-7-24(8-10-25)15(2)26)16-3-6-21(19(23)12-16)30-18-4-5-20-17(11-18)13-28-29-20/h3-6,11-12H,1,7-10,13H2,2H3