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

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-fluorophenyl)sulfonylamino]benzamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-fluorophenyl)sulfonylamino]benzamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-fluorophenyl)sulfonylamino]benzamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-fluorophenyl)sulfonylamino]benzamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[(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=C3NS(=O)(=O)C4=CC=C(C=C4)F)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F)N2CC#C

InChI

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