N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-homoveratryl-butyramide Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C23H28N2O4S2/c1-5-20(30-23-25-17-9-8-16(29-6-2)14-21(17)31-23)22(26)24-12-11-15-7-10-18(27-3)19(13-15)28-4/h7-10,13-14,20H,5-6,11-12H2,1-4H3,(H,24,26)