2-(1,3-benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(1-naphthalenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine Formula: C26H19NO2S MolecularWeight: 409.49956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H19NO2S/c1-2-8-19-17(6-1)7-5-9-20(19)22-15-26(30-25-11-4-3-10-21(25)27-22)18-12-13-23-24(14-18)29-16-28-23/h1-14,26H,15-16H2