propyl 4-[(3-butoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-butoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-butoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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