2-[4-(3-chloranyl-2-methyl-phenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(3-chloranyl-2-methyl-phenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-chloro-2-methyl-phenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(3-chloro-2-methylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-chloro-2-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3-chloro-2-methyl-phenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O4S/c1-14(22(28)25-11-9-24(10-12-25)16(3)27)17-7-8-21(19(13-17)26(29)30)31-20-6-4-5-18(23)15(20)2/h4-8,13H,1,9-12H2,2-3H3