methyl 6-[[(Z)-(2-chloranyl-8-methyl-quinolin-3-yl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(2-chloranyl-8-methyl-quinolin-3-yl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(2-chloro-8-methyl-3-quinolyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(2-chloro-8-methyl-3-quinolinyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(2-chloro-8-methyl-3-quinolyl)methyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H23ClN4O2S/c1-13-7-6-8-14-11-15(18(20)23-17(13)14)12-22-24-19(27)21-10-5-3-4-9-16(25)26-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,21,24,27)/b22-12-