methyl 4-[[(4,8-dimethylquinolin-2-yl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4,8-dimethylquinolin-2-yl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4,8-dimethyl-2-quinolyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[(4,8-dimethyl-2-quinolinyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4,8-dimethylquinolin-2-yl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4,8-dimethyl-2-quinolyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H22N4O2S/c1-11-6-4-7-13-12(2)10-14(19-16(11)13)20-21-17(24)18-9-5-8-15(22)23-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,19,20)(H2,18,21,24)