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

Systemtic Name: 3-phenylpropyl 5-[(2-hydroxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-hydroxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-hydroxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-hydroxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2-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=C2O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2O

InChI

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