butyl 4-[(4-ethanoylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-ethanoylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-acetylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-acetylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-acetylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-acetylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H22N2O3S/c1-3-4-13-25-19(24)16-7-11-18(12-8-16)22-20(26)21-17-9-5-15(6-10-17)14(2)23/h5-12H,3-4,13H2,1-2H3,(H2,21,22,26)