N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(p-tolylsulfonylamino)acetamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]-2-(tosylamino)acetamide Formula: C24H23N3O4S3 MolecularWeight: 513.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C24H23N3O4S3/c1-16-7-10-19(11-8-16)34(29,30)25-14-23(28)26-18-9-12-20-22(13-18)33-24(27-20)32-15-17-5-3-4-6-21(17)31-2/h3-13,25H,14-15H2,1-2H3,(H,26,28)