methyl 6-[[(2-oxidanylidenequinolin-3-ylidene)methylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-oxidanylidenequinolin-3-ylidene)methylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-oxo-3-quinolylidene)methylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2-oxo-3-quinolinylidene)methylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-oxoquinolin-3-ylidene)methylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-keto-3-quinolylidene)methylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC=C1C=C2C=CC=CC2=NC1=O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC=C1C=C2C=CC=CC2=NC1=O

InChI

InChI=1S/C18H22N4O3S/c1-25-16(23)9-3-2-6-10-19-18(26)22-20-12-14-11-13-7-4-5-8-15(13)21-17(14)24/h4-5,7-8,11-12,20H,2-3,6,9-10H2,1H3,(H2,19,22,26)