3-phenylpropyl 5-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C26H33N3O5S/c1-18-14-15-22(17-19(18)2)34-20(3)25(32)28-29-26(35)27-23(30)12-7-13-24(31)33-16-8-11-21-9-5-4-6-10-21/h4-6,9-10,14-15,17,20H,7-8,11-13,16H2,1-3H3,(H,28,32)(H2,27,29,30,35)