phenethyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[(4-allyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[(4-prop-2-enoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-allyloxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O5S/c1-2-15-30-19-10-8-18(9-11-19)22(29)25-26-23(32)24-20(27)12-13-21(28)31-16-14-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,25,29)(H2,24,26,27,32)