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

Systemtic Name: propyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]butyric acid propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-14-28-19(26)13-12-18(25)22-21(29)24-23-20(27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,23,27)(H2,22,24,25,29)