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

Systemtic Name: 3-phenylpropyl 5-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2,3-dichlorophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2,3-dichlorophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2,3-dichlorophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O3S/c22-16-10-4-11-17(20(16)23)24-21(29)25-18(26)12-5-13-19(27)28-14-6-9-15-7-2-1-3-8-15/h1-4,7-8,10-11H,5-6,9,12-14H2,(H2,24,25,26,29)