S-[(4-fluorophenyl)amino] 4-(7-chloranylquinolin-4-yl)piperazine-1-carbothioate

Systemtic Name: S-[(4-fluorophenyl)amino] 4-(7-chloranylquinolin-4-yl)piperazine-1-carbothioate Openeye Name: S-(4-fluoroanilino) 4-(7-chloro-4-quinolyl)piperazine-1-carbothioate CAS Name: 4-(7-chloro-4-quinolinyl)-1-piperazinecarbothioic acid S-(4-fluoroanilino) ester IUPAC Name: S-(4-fluoroanilino) 4-(7-chloroquinolin-4-yl)piperazine-1-carbothioate Traditional Name: 4-(7-chloro-4-quinolyl)piperazine-1-carbothioic acid S-(4-fluoroanilino) ester Formula: C20H18ClFN4OS MolecularWeight: 416.899523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)SNC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)SNC4=CC=C(C=C4)F

InChI

InChI=1S/C20H18ClFN4OS/c21-14-1-6-17-18(13-14)23-8-7-19(17)25-9-11-26(12-10-25)20(27)28-24-16-4-2-15(22)3-5-16/h1-8,13,24H,9-12H2