O-phenyl N-(4-butanoylphenyl)carbamothioate

Systemtic Name: O-phenyl N-(4-butanoylphenyl)carbamothioate Openeye Name: O-phenyl N-(4-butanoylphenyl)carbamothioate CAS Name: N-[4-(1-oxobutyl)phenyl]carbamothioic acid O-phenyl ester IUPAC Name: O-phenyl N-(4-butanoylphenyl)carbamothioate Traditional Name: N-(4-butyrylphenyl)thiocarbamic acid O-phenyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)NC(=S)OC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)NC(=S)OC2=CC=CC=C2

InChI

InChI=1S/C17H17NO2S/c1-2-6-16(19)13-9-11-14(12-10-13)18-17(21)20-15-7-4-3-5-8-15/h3-5,7-12H,2,6H2,1H3,(H,18,21)