butyl 4-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dimethylbenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-4-5-10-26-20(25)16-6-8-18(9-7-16)22-21(27)23-19(24)17-12-14(2)11-15(3)13-17/h6-9,11-13H,4-5,10H2,1-3H3,(H2,22,23,24,27)