3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C23H21N3OS/c1-15-7-8-16(2)26(15)23-24-20-10-9-18(13-21(20)28-23)22(27)25-12-11-17-5-3-4-6-19(17)14-25/h3-10,13H,11-12,14H2,1-2H3