N-(6-methoxy-1,3-benzothiazol-2-yl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: 8-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3C4C5=CC=CC=C5CCN4C(=O)C6=CC=CC=C36

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3C4C5=CC=CC=C5CCN4C(=O)C6=CC=CC=C36

InChI

InChI=1S/C26H21N3O3S/c1-32-16-10-11-20-21(14-16)33-26(27-20)28-24(30)22-18-8-4-5-9-19(18)25(31)29-13-12-15-6-2-3-7-17(15)23(22)29/h2-11,14,22-23H,12-13H2,1H3,(H,27,28,30)