N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C21H23FN2O3S2/c1-4-24-18-13-14(2)12-15(3)20(18)28-21(24)23-19(25)6-5-11-29(26,27)17-9-7-16(22)8-10-17/h7-10,12-13H,4-6,11H2,1-3H3