3-phenylpropyl 5-oxidanylidene-5-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(2,4,5-trichlorophenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(2,4,5-trichlorophenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(2,4,5-trichlorophenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C21H21Cl3N2O3S MolecularWeight: 487.82704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C21H21Cl3N2O3S/c22-15-12-17(24)18(13-16(15)23)25-21(30)26-19(27)9-4-10-20(28)29-11-5-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,25,26,27,30)