3-phenylpropyl 5-oxidanylidene-5-[(thiophen-2-ylcarbonylamino)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(thiophen-2-ylcarbonylamino)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(thiophene-2-carbonylamino)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(thiophene-2-carbonylamino)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(2-thenoylamino)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23N3O4S2/c24-17(21-20(28)23-22-19(26)16-10-6-14-29-16)11-4-12-18(25)27-13-5-9-15-7-2-1-3-8-15/h1-3,6-8,10,14H,4-5,9,11-13H2,(H,22,26)(H2,21,23,24,28)