2-[1-aminocarbonyl-1-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: 2-[1-aminocarbonyl-1-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: 2-[1-carbamoyl-1-[4-[(E)-thiomorpholinoiminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[1-carbamoyl-1-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]acetate IUPAC Name: 2-[1-carbamoyl-1-[4-[(E)-thiomorpholin-4-yliminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-carbamoyl-1-[4-[(E)-thiomorpholinoiminomethyl]phenyl]-3,4-dihydroisoquinolin-2-yl]acetate Formula: C23H25N4O3S- MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)(C3=CC=C(C=C3)C=NN4CCSCC4)C(=O)N)CC(=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)(C3=CC=C(C=C3)/C=N/N4CCSCC4)C(=O)N)CC(=O)[O-]

InChI

InChI=1S/C23H26N4O3S/c24-22(30)23(20-4-2-1-3-18(20)9-10-26(23)16-21(28)29)19-7-5-17(6-8-19)15-25-27-11-13-31-14-12-27/h1-8,15H,9-14,16H2,(H2,24,30)(H,28,29)/p-1/b25-15+