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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-8-keto-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4)C6=CC=CC=C61

Isomeric SMILES

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4)C6=CC=CC=C61

InChI

InChI=1S/C25H19N3O2S/c29-23(27-25-26-19-11-5-6-12-20(19)31-25)21-17-9-3-4-10-18(17)24(30)28-14-13-15-7-1-2-8-16(15)22(21)28/h1-12,21-22H,13-14H2,(H,26,27,29)