4-(6-chloranylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride

Systemtic Name: 4-(6-chloranylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Openeye Name: 4-(6-chloro-4-quinolyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride CAS Name: 4-(6-chloro-4-quinolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide dihydrochloride IUPAC Name: 4-(6-chloroquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Traditional Name: 4-(6-chloro-4-quinolyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride Formula: C20H22Cl3N5S MolecularWeight: 470.84618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)Cl)C(=S)NCC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)Cl)C(=S)NCC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C20H20ClN5S.2ClH/c21-16-3-4-18-17(12-16)19(5-7-23-18)25-8-10-26(11-9-25)20(27)24-14-15-2-1-6-22-13-15;;/h1-7,12-13H,8-11,14H2,(H,24,27);2*1H