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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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