propyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-5-14-27-20(26)16-8-12-18(13-9-16)23-21(28)24-19(25)15-6-10-17(11-7-15)22(2,3)4/h6-13H,5,14H2,1-4H3,(H2,23,24,25,28)