phenethyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O5S/c31-24(15-16-25(32)34-18-17-20-7-3-1-4-8-20)28-27(36)30-29-26(33)22-11-13-23(14-12-22)35-19-21-9-5-2-6-10-21/h1-14H,15-19H2,(H,29,33)(H2,28,30,31,36)