3,4-dihydro-1H-isoquinolin-2-yl-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C21H17N3OS/c25-20(24-12-9-15-5-1-2-6-17(15)14-24)16-7-8-18-19(13-16)26-21(22-18)23-10-3-4-11-23/h1-8,10-11,13H,9,12,14H2