(5Z)-5-[(4-heptoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-[(4-heptoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(4-heptoxyphenyl)methylene]-2-(4-phenylpiperazin-1-yl)thiazol-4-one CAS Name: (5Z)-5-[(4-heptoxyphenyl)methylidene]-2-(4-phenyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5Z)-5-[(4-heptoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(4-heptoxybenzylidene)-2-(4-phenylpiperazino)-2-thiazolin-4-one Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2S/c1-2-3-4-5-9-20-32-24-14-12-22(13-15-24)21-25-26(31)28-27(33-25)30-18-16-29(17-19-30)23-10-7-6-8-11-23/h6-8,10-15,21H,2-5,9,16-20H2,1H3/b25-21-