S-[(2-methylquinolin-3-yl)amino] 4-[3,5-bis(fluoranyl)phenyl]piperazine-1-carbothioate

Systemtic Name: S-[(2-methylquinolin-3-yl)amino] 4-[3,5-bis(fluoranyl)phenyl]piperazine-1-carbothioate Openeye Name: S-[(2-methyl-3-quinolyl)amino] 4-(3,5-difluorophenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-difluorophenyl)-1-piperazinecarbothioic acid S-[(2-methyl-3-quinolinyl)amino] ester IUPAC Name: S-[(2-methylquinolin-3-yl)amino] 4-(3,5-difluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-difluorophenyl)piperazine-1-carbothioic acid S-[(2-methyl-3-quinolyl)amino] ester Formula: C21H20F2N4OS MolecularWeight: 414.471506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C21H20F2N4OS/c1-14-20(10-15-4-2-3-5-19(15)24-14)25-29-21(28)27-8-6-26(7-9-27)18-12-16(22)11-17(23)13-18/h2-5,10-13,25H,6-9H2,1H3