methyl 4-(quinolin-8-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(quinolin-8-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-(8-quinolylcarbamothioylamino)butanoate CAS Name: 4-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(quinolin-8-ylcarbamothioylamino)butanoate Traditional Name: 4-(8-quinolylthiocarbamoylamino)butyric acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C15H17N3O2S/c1-20-13(19)8-4-10-17-15(21)18-12-7-2-5-11-6-3-9-16-14(11)12/h2-3,5-7,9H,4,8,10H2,1H3,(H2,17,18,21)