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

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C24H25FN2O3S2 MolecularWeight: 472.595303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC#C

InChI

InChI=1S/C24H25FN2O3S2/c1-3-5-7-18-9-14-21-22(17-18)31-24(27(21)15-4-2)26-23(28)8-6-16-32(29,30)20-12-10-19(25)11-13-20/h2,9-14,17H,3,5-8,15-16H2,1H3