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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2-thenoylamino)thiocarbamoylamino]butyric acid phenethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19N3O4S2/c22-15(19-18(26)21-20-17(24)14-7-4-12-27-14)8-9-16(23)25-11-10-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,20,24)(H2,19,21,22,26)