propyl 4-[(4-butoxyphenyl)carbonylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

InChI

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