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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H22N4O5S2/c1-2-28-22-12-9-20(29(31)32)15-23(22)35-25(28)26-24(30)18-7-10-21(11-8-18)36(33,34)27-14-13-17-5-3-4-6-19(17)16-27/h3-12,15H,2,13-14,16H2,1H3