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

Systemtic Name: 3-phenylpropyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-17-11-12-21(16-18(17)2)33-19(3)24(31)27-28-25(34)26-22(29)13-14-23(30)32-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,19H,7,10,13-15H2,1-3H3,(H,27,31)(H2,26,28,29,34)