3-phenylpropyl 5-[(4-methoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-methoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-methoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-methoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(4-methoxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-27-19-14-12-18(13-15-19)23-22(29)24-20(25)10-5-11-21(26)28-16-6-9-17-7-3-2-4-8-17/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H2,23,24,25,29)