methyl 2-[(3-carbamothioylquinolin-4-yl)-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(3-carbamothioylquinolin-4-yl)-methyl-amino]ethanoate Openeye Name: methyl 2-[(3-carbamothioyl-4-quinolyl)-methyl-amino]acetate CAS Name: 2-[(3-carbamothioyl-4-quinolinyl)-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate Traditional Name: 2-[methyl-(3-thiocarbamoyl-4-quinolyl)amino]acetic acid methyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=C(C=NC2=CC=CC=C21)C(=S)N

Isomeric SMILES

CN(CC(=O)OC)C1=C(C=NC2=CC=CC=C21)C(=S)N

InChI

InChI=1S/C14H15N3O2S/c1-17(8-12(18)19-2)13-9-5-3-4-6-11(9)16-7-10(13)14(15)20/h3-7H,8H2,1-2H3,(H2,15,20)