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

Systemtic Name: 5-[(2-butoxyphenyl)methylidene]-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(2-butoxyphenyl)methylene]thiazol-4-one CAS Name: 5-[(2-butoxyphenyl)methylidene]-2-[4-(phenylmethyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(2-butoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazino)-5-(2-butoxybenzylidene)-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)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-2-3-17-30-22-12-8-7-11-21(22)18-23-24(29)26-25(31-23)28-15-13-27(14-16-28)19-20-9-5-4-6-10-20/h4-12,18H,2-3,13-17,19H2,1H3