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

Systemtic Name: 3-phenylpropyl 5-[(2-methoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-methoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-methoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(2-methoxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

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