3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxy-propanethioamide

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxy-propanethioamide Openeye Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxy-propanethioamide CAS Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxypropanethioamide IUPAC Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxypropanethioamide Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxy-thiopropionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)C(=S)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)C(=S)N

InChI

InChI=1S/C21H25N3O3S/c1-3-25-19(20(22)28)14-15-8-10-16(11-9-15)26-13-12-24(2)21-23-17-6-4-5-7-18(17)27-21/h4-11,19H,3,12-14H2,1-2H3,(H2,22,28)