2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15(20(26)24-12-11-16-7-5-6-10-18(16)13-24)27-21-23-19(14-25(21)22)17-8-3-2-4-9-17/h2-10,14-15H,11-13,22H2,1H3