phenethyl 4-oxidanylidene-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate Openeye Name: phenethyl 4-oxo-4-(2-thienylmethylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(2-thenylthiocarbamoylamino)butyric acid phenethyl ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CS2

InChI

InChI=1S/C18H20N2O3S2/c21-16(20-18(24)19-13-15-7-4-12-25-15)8-9-17(22)23-11-10-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,19,20,21,24)