3-phenylpropyl 5-oxidanylidene-5-(thiophen-2-ylmethylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(thiophen-2-ylmethylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(2-thienylmethylcarbamothioylamino)pentanoate CAS Name: 5-oxo-5-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(thiophen-2-ylmethylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(2-thenylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c23-18(22-20(26)21-15-17-10-6-14-27-17)11-4-12-19(24)25-13-5-9-16-7-2-1-3-8-16/h1-3,6-8,10,14H,4-5,9,11-13,15H2,(H2,21,22,23,26)