butyl 4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-benzyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-benzoxybenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-2-3-16-31-25(30)20-12-14-22(15-13-20)27-26(33)28-24(29)21-10-7-11-23(17-21)32-18-19-8-5-4-6-9-19/h4-15,17H,2-3,16,18H2,1H3,(H2,27,28,29,33)