2-(azepan-1-yl)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[(4-butoxy-3-methoxy-phenyl)methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-(4-butoxy-3-methoxy-benzylidene)-2-thiazolin-4-one Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC

InChI

InChI=1S/C21H28N2O3S/c1-3-4-13-26-17-10-9-16(14-18(17)25-2)15-19-20(24)22-21(27-19)23-11-7-5-6-8-12-23/h9-10,14-15H,3-8,11-13H2,1-2H3