phenethyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-chlorobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(4-chlorobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-chlorobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S/c21-16-8-6-15(7-9-16)19(27)23-24-20(29)22-17(25)10-11-18(26)28-13-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,23,27)(H2,22,24,25,29)