3-phenylpropyl 5-[(3-hydroxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-hydroxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-hydroxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(3-hydroxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-hydroxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-hydroxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=CC=C2)O

InChI

InChI=1S/C21H24N2O4S/c24-18-11-4-10-17(15-18)22-21(28)23-19(25)12-5-13-20(26)27-14-6-9-16-7-2-1-3-8-16/h1-4,7-8,10-11,15,24H,5-6,9,12-14H2,(H2,22,23,25,28)