3-phenylpropyl 4-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5S/c1-30-19-11-9-18(10-12-19)16-21(28)25-26-23(32)24-20(27)13-14-22(29)31-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,25,28)(H2,24,26,27,32)