methyl 4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbothioylamino]butanoate

Systemtic Name: methyl 4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbothioylamino]butanoate Openeye Name: methyl 4-[(3-oxo-2,4-dihydroquinoxaline-1-carbothioyl)amino]butanoate CAS Name: 4-[[(3-oxo-2,4-dihydroquinoxalin-1-yl)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-oxo-2,4-dihydroquinoxaline-1-carbothioyl)amino]butanoate Traditional Name: 4-[(3-keto-2,4-dihydroquinoxaline-1-carbothioyl)amino]butyric acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CC(=O)NC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)N1CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C14H17N3O3S/c1-20-13(19)7-4-8-15-14(21)17-9-12(18)16-10-5-2-3-6-11(10)17/h2-3,5-6H,4,7-9H2,1H3,(H,15,21)(H,16,18)