5-[(4-tert-butylphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 5-[(4-tert-butylphenyl)methylene]-2-[4-(m-tolyl)piperazin-1-yl]thiazol-4-one CAS Name: 5-[(4-tert-butylphenyl)methylidene]-2-[4-(3-methylphenyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 5-[(4-tert-butylphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one Traditional Name: 5-(4-tert-butylbenzylidene)-2-[4-(m-tolyl)piperazino]-2-thiazolin-4-one Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3OS/c1-18-6-5-7-21(16-18)27-12-14-28(15-13-27)24-26-23(29)22(30-24)17-19-8-10-20(11-9-19)25(2,3)4/h5-11,16-17H,12-15H2,1-4H3