2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(4-butoxy-3-methoxy-benzylidene)amino]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C21H23N3O4S/c1-3-4-11-27-18-10-9-15(12-19(18)26-2)13-22-24-20(25)14-29-21-23-16-7-5-6-8-17(16)28-21/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,25)/b22-13+