3-phenylpropyl 5-oxidanylidene-5-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[(2-allyloxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(2-prop-2-enoxybenzoyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-[[(2-allyloxybenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H29N3O5S/c1-2-17-32-21-14-7-6-13-20(21)24(31)27-28-25(34)26-22(29)15-8-16-23(30)33-18-9-12-19-10-4-3-5-11-19/h2-7,10-11,13-14H,1,8-9,12,15-18H2,(H,27,31)(H2,26,28,29,34)