4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Formula: C28H23N3O3S2 MolecularWeight: 513.63052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C28H23N3O3S2/c1-30-26-24-9-5-4-7-20(24)12-15-25(26)35-28(30)29-27(32)21-10-13-23(14-11-21)36(33,34)31-17-16-19-6-2-3-8-22(19)18-31/h2-15H,16-18H2,1H3