3-phenylpropyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-27-17-10-11-19(28-2)18(15-17)23-22(30)24-20(25)12-13-21(26)29-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H2,23,24,25,30)