propyl 4-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-phenethyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-phenethyloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-phenethyloxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-2-16-32-25(30)20-11-13-22(14-12-20)27-26(33)28-24(29)21-9-6-10-23(18-21)31-17-15-19-7-4-3-5-8-19/h3-14,18H,2,15-17H2,1H3,(H2,27,28,29,33)