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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H24N4O6S2 MolecularWeight: 552.62196

Click to see the large picture

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)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=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/C26H24N4O6S2/c1-3-29-24-22(36-2)14-20(30(32)33)15-23(24)37-26(29)27-25(31)18-8-10-21(11-9-18)38(34,35)28-13-12-17-6-4-5-7-19(17)16-28/h4-11,14-15H,3,12-13,16H2,1-2H3