3-phenylpropyl 5-oxidanylidene-5-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[(4-phenylbenzoyl)amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(4-phenylbenzoyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c32-25(14-7-15-26(33)35-20-8-11-21-9-3-1-4-10-21)29-28(36)31-30-27(34)24-18-16-23(17-19-24)22-12-5-2-6-13-22/h1-6,9-10,12-13,16-19H,7-8,11,14-15,20H2,(H,30,34)(H2,29,31,32,36)