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

Systemtic Name: 3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-yl-propanethioamide Openeye Name: N-allyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)propanethioamide CAS Name: 3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanethioamide IUPAC Name: 3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-thiophen-2-ylpropanethioamide Traditional Name: N-allyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-3-(2-thienyl)thiopropionamide Formula: C19H21N2OS2+ MolecularWeight: 357.51284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/p+1