N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N2O3S/c26-22(17-5-3-7-19-21(17)28-14-4-13-27-19)24-16-11-9-15(10-12-16)23-25-18-6-1-2-8-20(18)29-23/h1-3,5-12H,4,13-14H2,(H,24,26)