4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C

InChI

InChI=1S/C26H25N3O3S2/c1-17-14-23-24(15-18(17)2)33-26(28(23)3)27-25(30)20-8-10-22(11-9-20)34(31,32)29-13-12-19-6-4-5-7-21(19)16-29/h4-11,14-15H,12-13,16H2,1-3H3