3-phenylazanyl-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-phenylazanyl-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-anilino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-anilino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C22H21N2OS2+ MolecularWeight: 393.54494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)C(=C(NC3=CC=CC=C3)S)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)C(=C(NC3=CC=CC=C3)S)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2OS2/c25-21(19-11-6-14-27-19)20(22(26)23-18-9-2-1-3-10-18)24-13-12-16-7-4-5-8-17(16)15-24/h1-3,6,9-15H,4-5,7-8H2,(H-,23,25,26)/p+1