N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-ethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(4-ethoxy-N-mesyl-anilino)acetamide Formula: C20H23N3O4S3 MolecularWeight: 465.60932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O4S3/c1-3-27-16-10-8-15(9-11-16)23(30(2,25)26)14-19(24)21-12-13-28-20-22-17-6-4-5-7-18(17)29-20/h4-11H,3,12-14H2,1-2H3,(H,21,24)