N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N2O3S/c1-14-16(23-25-18-6-2-3-8-21(18)29-23)5-4-7-17(14)24-22(26)15-9-10-19-20(13-15)28-12-11-27-19/h2-10,13H,11-12H2,1H3,(H,24,26)