(6-bromanyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate

Systemtic Name: (6-bromanyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate Openeye Name: 2-(6-bromo-2-methyl-3-propyl-4-quinolyl)isothiourea CAS Name: carbamimidothioic acid (6-bromo-2-methyl-3-propyl-4-quinolinyl) ester IUPAC Name: (6-bromo-2-methyl-3-propylquinolin-4-yl) carbamimidothioate Traditional Name: 2-(6-bromo-2-methyl-3-propyl-4-quinolyl)isothiourea Formula: C14H16BrN3S MolecularWeight: 338.26594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SC(=N)N

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SC(=N)N

InChI

InChI=1S/C14H16BrN3S/c1-3-4-10-8(2)18-12-6-5-9(15)7-11(12)13(10)19-14(16)17/h5-7H,3-4H2,1-2H3,(H3,16,17)