butyl 4-[(2,5-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2,5-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(2,5-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2,5-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-4-5-12-24-19(23)16-8-10-17(11-9-16)21-20(25)22-18-13-14(2)6-7-15(18)3/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,25)