ethyl 4-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(2-benzylsulfanylacetyl)amino]carbamoylamino]benzoate CAS Name: 4-[[oxo-[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-benzylsulfanylacetyl)amino]carbamoylamino]benzoate Traditional Name: 4-[[[2-(benzylthio)acetyl]amino]carbamoylamino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4S/c1-2-26-18(24)15-8-10-16(11-9-15)20-19(25)22-21-17(23)13-27-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,23)(H2,20,22,25)