N-(4-ethanoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-acetylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-acetylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-acetylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-acetylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18N2OS MolecularWeight: 310.41332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H18N2OS/c1-13(21)14-6-8-17(9-7-14)19-18(22)20-11-10-15-4-2-3-5-16(15)12-20/h2-9H,10-12H2,1H3,(H,19,22)