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

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(N-mesyl-4-methyl-anilino)acetamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O3S3/c1-14-7-9-15(10-8-14)22(28(2,24)25)13-18(23)20-11-12-26-19-21-16-5-3-4-6-17(16)27-19/h3-10H,11-13H2,1-2H3,(H,20,23)