N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

InChI

InChI=1S/C20H24N2O2S2/c1-13-6-8-14(9-7-13)25-10-4-5-17(24)22-19-21-15-11-20(2,3)12-16(23)18(15)26-19/h6-9H,4-5,10-12H2,1-3H3,(H,21,22,24)