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

Systemtic Name: 2-(azepan-1-yl)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[(4-isopentyloxy-3-methoxy-phenyl)methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-(4-isoamoxy-3-methoxy-benzylidene)-2-thiazolin-4-one Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC

InChI

InChI=1S/C22H30N2O3S/c1-16(2)10-13-27-18-9-8-17(14-19(18)26-3)15-20-21(25)23-22(28-20)24-11-6-4-5-7-12-24/h8-9,14-16H,4-7,10-13H2,1-3H3