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

Systemtic Name: 3-phenylpropyl 4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O4S/c22-15-8-9-16(17(23)13-15)20(29)25-26-21(31)24-18(27)10-11-19(28)30-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,25,29)(H2,24,26,27,31)