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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

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