3-phenylpropyl 5-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioylamino]pentanoate CAS Name: 5-[[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H35N3O5S/c1-3-20(2)22-14-7-8-15-23(22)35-19-25(32)29-30-27(36)28-24(31)16-9-17-26(33)34-18-10-13-21-11-5-4-6-12-21/h4-8,11-12,14-15,20H,3,9-10,13,16-19H2,1-2H3,(H,29,32)(H2,28,30,31,36)