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

Systemtic Name: 3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: N-allyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)propanimidothioate CAS Name: 3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: 3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: N-allyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)thiopropionimidate Formula: C19H20N2OS2 MolecularWeight: 356.5049

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC3=C(CCCC3)C=C2)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC3=C(CCCC3)C=C2)[S-]

InChI

InChI=1S/C19H20N2OS2/c1-2-10-20-19(23)17(18(22)16-8-5-12-24-16)21-11-9-14-6-3-4-7-15(14)13-21/h2,5,8-9,11-13,17H,1,3-4,6-7,10H2