methyl 4-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C12H17N3O4S/c1-8-9(5-7-19-8)11(17)14-15-12(20)13-6-3-4-10(16)18-2/h5,7H,3-4,6H2,1-2H3,(H,14,17)(H2,13,15,20)