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

Systemtic Name: methyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-26-17(24)12-11-16(23)20-19(27)22-21-18(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,25)(H2,20,22,23,27)