3-phenylpropyl 5-[(2,5-dimethoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2,5-dimethoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2,5-dimethoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2,5-dimethoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-28-18-13-14-20(29-2)19(16-18)24-23(31)25-21(26)11-6-12-22(27)30-15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,16H,6-7,10-12,15H2,1-2H3,(H2,24,25,26,31)