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

Systemtic Name: N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H15N3S MolecularWeight: 293.3861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15N3S/c18-11-13-4-3-7-16(10-13)19-17(21)20-9-8-14-5-1-2-6-15(14)12-20/h1-7,10H,8-9,12H2,(H,19,21)