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

Systemtic Name: phenethyl 4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H19Cl2N3O4S MolecularWeight: 468.35356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O4S/c21-14-6-7-15(16(22)12-14)19(28)24-25-20(30)23-17(26)8-9-18(27)29-11-10-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,24,28)(H2,23,25,26,30)