[3-[(Z)-3-chloranylbut-2-enyl]-6-ethoxy-2-methyl-quinolin-4-yl] carbamimidothioate

Systemtic Name: [3-[(Z)-3-chloranylbut-2-enyl]-6-ethoxy-2-methyl-quinolin-4-yl] carbamimidothioate Openeye Name: 2-[3-[(Z)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-4-quinolyl]isothiourea CAS Name: carbamimidothioic acid [3-[(Z)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-4-quinolinyl] ester IUPAC Name: [3-[(Z)-3-chlorobut-2-enyl]-6-ethoxy-2-methylquinolin-4-yl] carbamimidothioate Traditional Name: 2-[3-[(Z)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-4-quinolyl]isothiourea Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2SC(=N)N)CC=C(C)Cl)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2SC(=N)N)C/C=C(/C)\Cl)C

InChI

InChI=1S/C17H20ClN3OS/c1-4-22-12-6-8-15-14(9-12)16(23-17(19)20)13(11(3)21-15)7-5-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H3,19,20)/b10-5-