N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H15F3N2S MolecularWeight: 336.37461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N2S/c18-17(19,20)14-5-7-15(8-6-14)21-16(23)22-10-9-12-3-1-2-4-13(12)11-22/h1-8H,9-11H2,(H,21,23)