4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C25H23N3O4S2/c1-27-23-21(32-2)8-5-9-22(23)33-25(27)26-24(29)18-10-12-20(13-11-18)34(30,31)28-15-14-17-6-3-4-7-19(17)16-28/h3-13H,14-16H2,1-2H3