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

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)C

InChI

InChI=1S/C19H19FN2O3S2/c1-13-5-10-16-17(12-13)26-19(22(16)2)21-18(23)4-3-11-27(24,25)15-8-6-14(20)7-9-15/h5-10,12H,3-4,11H2,1-2H3