N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c28-23(17-29-22-8-2-1-3-9-22)26-24(30)25-20-10-12-21(13-11-20)27-15-14-18-6-4-5-7-19(18)16-27/h1-13H,14-17H2,(H2,25,26,28,30)