[3-[3,3-bis(chloranyl)prop-2-enyl]-2,8-dimethyl-quinolin-4-yl] carbamimidothioate

Systemtic Name: [3-[3,3-bis(chloranyl)prop-2-enyl]-2,8-dimethyl-quinolin-4-yl] carbamimidothioate Openeye Name: 2-[3-(3,3-dichloroallyl)-2,8-dimethyl-4-quinolyl]isothiourea CAS Name: carbamimidothioic acid [3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-4-quinolinyl] ester IUPAC Name: [3-(3,3-dichloroprop-2-enyl)-2,8-dimethylquinolin-4-yl] carbamimidothioate Traditional Name: 2-[3-(3,3-dichloroallyl)-2,8-dimethyl-4-quinolyl]isothiourea Formula: C15H15Cl2N3S MolecularWeight: 340.2707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C(Cl)Cl)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C(Cl)Cl)C

InChI

InChI=1S/C15H15Cl2N3S/c1-8-4-3-5-11-13(8)20-9(2)10(6-7-12(16)17)14(11)21-15(18)19/h3-5,7H,6H2,1-2H3,(H3,18,19)