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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC)OC

InChI

InChI=1S/C27H27N3O5S2/c1-4-30-25-23(35-3)15-21(34-2)16-24(25)36-27(30)28-26(31)19-9-11-22(12-10-19)37(32,33)29-14-13-18-7-5-6-8-20(18)17-29/h5-12,15-16H,4,13-14,17H2,1-3H3