N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxidanylidene-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxidanylidene-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-4-spiro[4H-isoquinoline-3,1'-cyclohexane]carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-keto-2-(2-methoxyethyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O3S/c1-31-16-15-28-23(30)18-10-4-3-9-17(18)21(25(28)13-7-2-8-14-25)22(29)27-24-26-19-11-5-6-12-20(19)32-24/h3-6,9-12,21H,2,7-8,13-16H2,1H3,(H,26,27,29)