N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3-ethyl-5,6-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=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

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