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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H23N3O4S3 MolecularWeight: 465.60932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

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