5-[(4-butoxyphenyl)methylidene]-2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-1,3-thiazol-4-one

Systemtic Name: 5-[(4-butoxyphenyl)methylidene]-2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 5-[(4-butoxyphenyl)methylene]-2-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]thiazol-4-one CAS Name: 5-[(4-butoxyphenyl)methylidene]-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 5-[(4-butoxyphenyl)methylidene]-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one Traditional Name: 5-(4-butoxybenzylidene)-2-[4-(3-chloro-4-methyl-phenyl)piperazino]-2-thiazolin-4-one Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H28ClN3O2S/c1-3-4-15-31-21-9-6-19(7-10-21)16-23-24(30)27-25(32-23)29-13-11-28(12-14-29)20-8-5-18(2)22(26)17-20/h5-10,16-17H,3-4,11-15H2,1-2H3