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

Systemtic Name: 2-[4-(4-azanyl-2-oxidanyl-phenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-amino-2-hydroxy-phenyl)sulfanyl-3-chloro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(4-amino-2-hydroxyphenyl)thio]-3-chlorophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-amino-2-hydroxyphenyl)sulfanyl-3-chlorophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(4-amino-2-hydroxy-phenyl)thio]-3-chloro-phenyl]prop-2-en-1-one Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-13(21(28)25-9-7-24(8-10-25)14(2)26)15-3-5-19(17(22)11-15)29-20-6-4-16(23)12-18(20)27/h3-6,11-12,27H,1,7-10,23H2,2H3