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

Systemtic Name: 2-[4-(3-aminophenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminophenyl)sulfanyl-3-chloro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(3-aminophenyl)thio]-3-chlorophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminophenyl)sulfanyl-3-chlorophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3-aminophenyl)thio]-3-chloro-phenyl]prop-2-en-1-one Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-14(21(27)25-10-8-24(9-11-25)15(2)26)16-6-7-20(19(22)12-16)28-18-5-3-4-17(23)13-18/h3-7,12-13H,1,8-11,23H2,2H3