(2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H18ClN3OS MolecularWeight: 371.88372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-12(25-19-21-16-7-6-15(20)10-17(16)22-19)18(24)23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10,12H,8-9,11H2,1H3,(H,21,22)/t12-/m1/s1