propyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2-thenoylamino)thiocarbamoylamino]butyric acid propyl ester Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CS1

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CS1

InChI

InChI=1S/C13H17N3O4S2/c1-2-7-20-11(18)6-5-10(17)14-13(21)16-15-12(19)9-4-3-8-22-9/h3-4,8H,2,5-7H2,1H3,(H,15,19)(H2,14,16,17,21)