ethyl 4-[(3-phenylpropanoylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-phenylpropanoylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-phenylpropanoylamino)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-phenylpropanoylamino)carbamothioylamino]benzoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O3S/c1-2-25-18(24)15-9-11-16(12-10-15)20-19(26)22-21-17(23)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,21,23)(H2,20,22,26)