4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoranyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoranyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H22FN3O3S2/c1-2-29-22-12-9-20(26)15-23(22)33-25(29)27-24(30)18-7-10-21(11-8-18)34(31,32)28-14-13-17-5-3-4-6-19(17)16-28/h3-12,15H,2,13-14,16H2,1H3