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

Systemtic Name: phenethyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-iodobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H20IN3O4S MolecularWeight: 525.35997

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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=CC=C2I

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C20H20IN3O4S/c21-16-9-5-4-8-15(16)19(27)23-24-20(29)22-17(25)10-11-18(26)28-13-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,27)(H2,22,24,25,29)