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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S3/c1-13-4-7-15(8-5-13)29(25,26)23-17(10-11-27-3)19(24)22-20-21-16-9-6-14(2)12-18(16)28-20/h4-9,12,17,23H,10-11H2,1-3H3,(H,21,22,24)