3-phenylpropyl 5-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H23Cl2N3O4S MolecularWeight: 496.40672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3O4S/c23-16-11-12-17(18(24)14-16)21(30)26-27-22(32)25-19(28)9-4-10-20(29)31-13-5-8-15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,26,30)(H2,25,27,28,32)