3-phenylpropyl 4-oxidanylidene-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(2-thienylmethylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(thiophen-2-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(2-thenylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c22-17(21-19(25)20-14-16-9-5-13-26-16)10-11-18(23)24-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,13H,4,8,10-12,14H2,(H2,20,21,22,25)