propyl 4-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-sec-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)OC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-14-27-21(26)17-6-10-18(11-7-17)23-22(29)24-20(25)16-8-12-19(13-9-16)28-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H2,23,24,25,29)