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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS2/c1-13-6-8-16(9-7-13)24-10-4-5-19(23)22-20-21-17-11-14(2)15(3)12-18(17)25-20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22,23)