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

Systemtic Name: N-(furan-2-ylmethyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: N-(2-furylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)propanimidothioate CAS Name: N-(2-furanylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: N-(furan-2-ylmethyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: N-(2-furfuryl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)thiopropionimidate Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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