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

Systemtic Name: (2-methyl-6-propoxy-3-propyl-quinolin-4-yl) carbamimidothioate Openeye Name: 2-(2-methyl-6-propoxy-3-propyl-4-quinolyl)isothiourea CAS Name: carbamimidothioic acid (2-methyl-6-propoxy-3-propyl-4-quinolinyl) ester IUPAC Name: (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate Traditional Name: 2-(2-methyl-6-propoxy-3-propyl-4-quinolyl)isothiourea Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-4-6-13-11(3)20-15-8-7-12(21-9-5-2)10-14(15)16(13)22-17(18)19/h7-8,10H,4-6,9H2,1-3H3,(H3,18,19)