3-phenylpropyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(4-phenylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c31-24(17-18-25(32)34-19-7-10-20-8-3-1-4-9-20)28-27(35)30-29-26(33)23-15-13-22(14-16-23)21-11-5-2-6-12-21/h1-6,8-9,11-16H,7,10,17-19H2,(H,29,33)(H2,28,30,31,35)