N-[(Z)-(4-oxidanylidenechromen-3-yl)methylideneamino]-2-thiomorpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(Z)-(4-oxidanylidenechromen-3-yl)methylideneamino]-2-thiomorpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(Z)-(4-oxochromen-3-yl)methyleneamino]-2-thiomorpholin-4-ium-4-yl-acetamide CAS Name: N-[(Z)-(4-oxo-1-benzopyran-3-yl)methylideneamino]-2-(4-thiomorpholin-4-iumyl)acetamide IUPAC Name: N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide Traditional Name: N-[(Z)-(4-ketochromen-3-yl)methyleneamino]-2-thiomorpholin-4-ium-4-yl-acetamide Formula: C16H18N3O3S+ MolecularWeight: 332.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(=O)NN=CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

C1CSCC[NH+]1CC(=O)N/N=C\C2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N3O3S/c20-15(10-19-5-7-23-8-6-19)18-17-9-12-11-22-14-4-2-1-3-13(14)16(12)21/h1-4,9,11H,5-8,10H2,(H,18,20)/p+1/b17-9-