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

Systemtic Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C22H26N2O2S2/c1-4-24-21-18(26-5-2)8-6-9-19(21)28-22(24)23-20(25)10-7-15-27-17-13-11-16(3)12-14-17/h6,8-9,11-14H,4-5,7,10,15H2,1-3H3