3-(3,4-dichlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate

Systemtic Name: 3-(3,4-dichlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Openeye Name: N-allyl-3-(3,4-dichlorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate CAS Name: 3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate IUPAC Name: 3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Traditional Name: N-allyl-3-(3,4-dichlorophenyl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionimidate Formula: C21H20Cl2N2OS MolecularWeight: 419.3673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2OS/c1-2-10-24-21(27)19(20(26)15-7-8-17(22)18(23)12-15)25-11-9-14-5-3-4-6-16(14)13-25/h2,7-9,11-13,19H,1,3-6,10H2