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

Systemtic Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC=C

InChI

InChI=1S/C22H23FN2O3S2/c1-3-13-25-19-12-7-16(4-2)15-20(19)29-22(25)24-21(26)6-5-14-30(27,28)18-10-8-17(23)9-11-18/h3,7-12,15H,1,4-6,13-14H2,2H3