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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Openeye Name: N-allyl-3-(5-chloro-2-thienyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate CAS Name: 3-(5-chloro-2-thiophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate IUPAC Name: 3-(5-chlorothiophen-2-yl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Traditional Name: N-allyl-3-(5-chloro-2-thienyl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionimidate Formula: C19H19ClN2OS2 MolecularWeight: 390.94996

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC3=C(CCCC3)C=C2)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC3=C(CCCC3)C=C2)[S-]

InChI

InChI=1S/C19H19ClN2OS2/c1-2-10-21-19(24)17(18(23)15-7-8-16(20)25-15)22-11-9-13-5-3-4-6-14(13)12-22/h2,7-9,11-12,17H,1,3-6,10H2