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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-13-6-8-14(9-7-13)26-12-4-5-17(23)21-20-22-18-15(24-2)10-11-16(25-3)19(18)27-20/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)