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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2O2S2/c1-3-24-16-6-4-7-17-19(16)22-20(26-17)21-18(23)8-5-13-25-15-11-9-14(2)10-12-15/h4,6-7,9-12H,3,5,8,13H2,1-2H3,(H,21,22,23)