3-(4-bromophenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: 3-(4-bromophenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: 3-(4-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(4-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(4-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: 3-(4-bromophenyl)-N-ethyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C20H22BrN2OS+ MolecularWeight: 418.37048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2OS/c1-2-22-20(25)18(19(24)15-7-9-17(21)10-8-15)23-12-11-14-5-3-4-6-16(14)13-23/h7-13,18H,2-6H2,1H3/p+1