N-(1,3-benzothiazol-2-ylmethyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H18N2O3S/c27-23(25-14-22-26-19-8-4-5-9-21(19)30-22)16-10-11-18-17(12-16)13-20(29-24(18)28)15-6-2-1-3-7-15/h1-12,20H,13-14H2,(H,25,27)