N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide Formula: C25H20FN3O3S2 MolecularWeight: 493.573003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F)N2CC#C

InChI

InChI=1S/C25H20FN3O3S2/c1-4-12-29-22-13-16(2)17(3)14-23(22)33-25(29)27-24(30)18-6-5-7-20(15-18)28-34(31,32)21-10-8-19(26)9-11-21/h1,5-11,13-15,28H,12H2,2-3H3