7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2S/c22-18-8-10-24-17-6-5-14(11-16(17)20-18)19(23)21-9-7-13-3-1-2-4-15(13)12-21/h1-6,11H,7-10,12H2,(H,20,22)