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

Systemtic Name: 5-[(2-butoxyphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 5-[(2-butoxyphenyl)methylene]-2-[4-(m-tolyl)piperazin-1-yl]thiazol-4-one CAS Name: 5-[(2-butoxyphenyl)methylidene]-2-[4-(3-methylphenyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 5-[(2-butoxyphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one Traditional Name: 5-(2-butoxybenzylidene)-2-[4-(m-tolyl)piperazino]-2-thiazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-3-4-16-30-22-11-6-5-9-20(22)18-23-24(29)26-25(31-23)28-14-12-27(13-15-28)21-10-7-8-19(2)17-21/h5-11,17-18H,3-4,12-16H2,1-2H3