[3-[(Z)-3-chloranylbut-2-enyl]-8-methoxy-2-methyl-quinolin-4-yl] carbamimidothioate

Systemtic Name: [3-[(Z)-3-chloranylbut-2-enyl]-8-methoxy-2-methyl-quinolin-4-yl] carbamimidothioate Openeye Name: 2-[3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methyl-4-quinolyl]isothiourea CAS Name: carbamimidothioic acid [3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methyl-4-quinolinyl] ester IUPAC Name: [3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methylquinolin-4-yl] carbamimidothioate Traditional Name: 2-[3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methyl-4-quinolyl]isothiourea Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1CC=C(C)Cl)SC(=N)N

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1C/C=C(/C)\Cl)SC(=N)N

InChI

InChI=1S/C16H18ClN3OS/c1-9(17)7-8-11-10(2)20-14-12(15(11)22-16(18)19)5-4-6-13(14)21-3/h4-7H,8H2,1-3H3,(H3,18,19)/b9-7-