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

Systemtic Name: 2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-one CAS Name: 2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolone IUPAC Name: 2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-[4-(3-chloro-4-methyl-phenyl)piperazino]-5-vanillylidene-2-thiazolin-4-one Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC(=C(C=C4)O)OC)S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC(=C(C=C4)O)OC)S3)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-14-3-5-16(13-17(14)23)25-7-9-26(10-8-25)22-24-21(28)20(30-22)12-15-4-6-18(27)19(11-15)29-2/h3-6,11-13,27H,7-10H2,1-2H3