1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-2-benzimidazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methylbenzimidazol-2-yl)thio]propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H21N3OS/c1-14(25-20-21-17-9-5-6-10-18(17)22(20)2)19(24)23-12-11-15-7-3-4-8-16(15)13-23/h3-10,14H,11-13H2,1-2H3