4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H22N4O6S2 MolecularWeight: 538.59538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H22N4O6S2/c1-27-23-21(35-2)13-19(29(31)32)14-22(23)36-25(27)26-24(30)17-7-9-20(10-8-17)37(33,34)28-12-11-16-5-3-4-6-18(16)15-28/h3-10,13-14H,11-12,15H2,1-2H3