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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(3-phenethyloxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(3-phenethyloxyphenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(3-phenethyloxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(3-phenethyloxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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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)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c32-27(17-8-18-28(33)35-20-9-14-23-10-3-1-4-11-23)31-29(36)30-25-15-7-16-26(22-25)34-21-19-24-12-5-2-6-13-24/h1-7,10-13,15-16,22H,8-9,14,17-21H2,(H2,30,31,32,36)