2-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-methanethioyl-propanediamide

Systemtic Name: 2-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-methanethioyl-propanediamide Openeye Name: 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-methanethioyl-propanediamide CAS Name: 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-methanethioylpropanediamide IUPAC Name: 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-methanethioylpropanediamide Traditional Name: 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N'-thioformyl-malonamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C(C(=O)NC=S)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@H]1C(C(=O)NC=S)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O3S/c1-13(26)25-11-10-14-6-2-3-7-15(14)19(25)18(20(27)23-12-29)21(28)24-17-9-5-4-8-16(17)22/h2-9,12,18-19H,10-11H2,1H3,(H,24,28)(H,23,27,29)/t18?,19-/m0/s1