2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-17(11-21-8-7-12-3-1-2-4-13(12)10-21)20-18-19-15-6-5-14(22(24)25)9-16(15)26-18/h1-6,9H,7-8,10-11H2,(H,19,20,23)