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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-cyclohexyl-piperazine-1-carbothioamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-cyclohexyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-cyclohexyl-piperazine-1-carbothioamide Formula: C20H26ClN5S MolecularWeight: 403.97194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C20H26ClN5S/c21-14-6-7-16-17(12-14)24-19(22)13-18(16)25-8-10-26(11-9-25)20(27)23-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H2,22,24)(H,23,27)