N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)C)OC

InChI

InChI=1S/C20H22N2O2S2/c1-13-6-9-15(10-7-13)25-12-4-5-17(23)21-20-22-18-16(24-3)11-8-14(2)19(18)26-20/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)