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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC3=CC=CC=C3S2

InChI

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