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

Systemtic Name: 3-phenylpropyl 5-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H35N3O5S/c1-20(2)17-19-34-23-15-13-22(14-16-23)26(33)29-30-27(36)28-24(31)11-6-12-25(32)35-18-7-10-21-8-4-3-5-9-21/h3-5,8-9,13-16,20H,6-7,10-12,17-19H2,1-2H3,(H,29,33)(H2,28,30,31,36)