N-(furan-2-ylmethyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-yl-propanethioamide

Systemtic Name: N-(furan-2-ylmethyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-yl-propanethioamide Openeye Name: N-(2-furylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)propanethioamide CAS Name: N-(2-furanylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanethioamide IUPAC Name: N-(furan-2-ylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanethioamide Traditional Name: N-(2-furfuryl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)thiopropionamide Formula: C21H21N2O2S2+ MolecularWeight: 397.53364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)C(C(=O)C3=CC=CS3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)C(C(=O)C3=CC=CS3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C21H20N2O2S2/c24-20(18-8-4-12-27-18)19(21(26)22-13-17-7-3-11-25-17)23-10-9-15-5-1-2-6-16(15)14-23/h3-4,7-12,14,19H,1-2,5-6,13H2/p+1