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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H19FN2O3S3 MolecularWeight: 462.580563

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

InChI

InChI=1S/C21H19FN2O3S3/c1-3-12-24-18-11-10-17(30(2,26)27)14-19(18)29-21(24)23-20(25)5-4-13-28-16-8-6-15(22)7-9-16/h1,6-11,14H,4-5,12-13H2,2H3