ethyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]butyric acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-2-27-18(25)13-12-17(24)21-20(28)23-22-19(26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,26)(H2,21,23,24,28)