3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C23H18N2O2S MolecularWeight: 386.46622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H18N2O2S/c26-22-18-7-3-4-8-20(18)28-21-10-9-16(13-19(21)24-22)23(27)25-12-11-15-5-1-2-6-17(15)14-25/h1-10,13H,11-12,14H2,(H,24,26)