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hexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

hexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name:hexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
Openeye Name:hexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CAS Name:4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester
IUPAC Name:hexyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
Traditional Name:4-(hydrocinnamoylthiocarbamoylamino)benzoic acid hexyl ester
Formula: C23H28N2O3S
MolecularWeight: 412.54502
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2


Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2


InChI

InChI=1S/C23H28N2O3S/c1-2-3-4-8-17-28-22(27)19-12-14-20(15-13-19)24-23(29)25-21(26)16-11-18-9-6-5-7-10-18/h5-7,9-10,12-15H,2-4,8,11,16-17H2,1H3,(H2,24,25,26,29)


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