N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butyramide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C)OC

InChI

InChI=1S/C22H21FN2O3S2/c1-4-11-25-17-13-18(27-2)19(28-3)14-20(17)30-22(25)24-21(26)6-5-12-29-16-9-7-15(23)8-10-16/h1,7-10,13-14H,5-6,11-12H2,2-3H3