(8-chloranyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate

Systemtic Name: (8-chloranyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate Openeye Name: 2-(8-chloro-2-methyl-3-propyl-4-quinolyl)isothiourea CAS Name: carbamimidothioic acid (8-chloro-2-methyl-3-propyl-4-quinolinyl) ester IUPAC Name: (8-chloro-2-methyl-3-propylquinolin-4-yl) carbamimidothioate Traditional Name: 2-(8-chloro-2-methyl-3-propyl-4-quinolyl)isothiourea Formula: C14H16ClN3S MolecularWeight: 293.81494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3S/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17/h4,6-7H,3,5H2,1-2H3,(H3,16,17)