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

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-homoveratryl-acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S2/c1-13(25)23-15-5-6-16-19(11-15)30-21(24-16)29-12-20(26)22-9-8-14-4-7-17(27-2)18(10-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)(H,23,25)