2-methoxyethyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-28-13-14-29-19(26)12-11-18(25)22-21(30)24-23-20(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,23,27)(H2,22,24,25,30)