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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C)C

InChI

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