ethyl 4-[(3,3-diphenylpropanoylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,3-diphenylpropanoylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,3-diphenylpropanoylamino)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-3,3-diphenylpropyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-diphenylpropanoylamino)carbamothioylamino]benzoate Traditional Name: 4-[(3,3-diphenylpropanoylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-2-31-24(30)20-13-15-21(16-14-20)26-25(32)28-27-23(29)17-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22H,2,17H2,1H3,(H,27,29)(H2,26,28,32)