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

Systemtic Name: 3-phenylpropyl 4-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-benzamidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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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)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5S/c33-24(17-18-25(34)37-19-7-10-20-8-3-1-4-9-20)30-28(38)32-31-27(36)22-13-15-23(16-14-22)29-26(35)21-11-5-2-6-12-21/h1-6,8-9,11-16H,7,10,17-19H2,(H,29,35)(H,31,36)(H2,30,32,33,38)