3,4-dihydro-1H-isoquinolin-2-yl-(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-ethyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-ethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)SC5=CC=CC=C51

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)SC5=CC=CC=C51

InChI

InChI=1S/C25H22N2OS/c1-2-21-20-9-5-6-10-23(20)29-24-12-11-18(15-22(24)26-21)25(28)27-14-13-17-7-3-4-8-19(17)16-27/h3-12,15H,2,13-14,16H2,1H3