4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C20H19ClFN5S MolecularWeight: 415.914763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)N)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)N)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H19ClFN5S/c21-13-1-6-16-17(11-13)25-19(23)12-18(16)26-7-9-27(10-8-26)20(28)24-15-4-2-14(22)3-5-15/h1-6,11-12H,7-10H2,(H2,23,25)(H,24,28)